Geometry & MOs

Info

ID:	45060
PubChem CID:	10507662
Reduced:	F2O4N8C29H30 (1)
Stoich.:	A2B4C8D29E30 (1)
Weight, g/mol:	592.230847
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	6.41
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[(1S,2R,17R,19S)-5-[[(2R)-3,3-dimethyloxiran-2-yl]-hydroxymethyl]-12-hydroxy-8,8,21,21-tetramethyl-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

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@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3=C(C=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])N

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@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)NC(=O)C3=C(C=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):