Geometry & MOs

Info

ID:	445995
PubChem CID:	135271204
Reduced:	PN7O7C25H36 (1)
Stoich.:	AB7C7D25E36 (1)
Weight, g/mol:	765.529202
ΔH_f, kcal/mol:	-311.23
Dipole, Da:	4.83
IP(EA), eV:	-8.51(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,17S,20R,21S,22S)-22-[(2S,3Z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7-[4-[(4R,5R,6S)-5-(hydroxymethyl)-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),11-dien-10-yl]butyl]-13,15,17,21-tetramethyl-1-oxacyclodocosa-3,5,11-trien-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)C)O)OC4=CC=CC=C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)C)O)OC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):