Geometry & MOs

Info

ID:	389044
PubChem CID:	134990981
Reduced:	PN5O5C22H30 (1)
Stoich.:	AB5C5D22E30 (1)
Weight, g/mol:	498.238431
ΔH_f, kcal/mol:	-203.48
Dipole, Da:	6.85
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S,9S,10S,11S,12R,14R,17R)-14-ethenyl-10-hydroxy-3,3,8,8,12,14,17-heptamethyl-16-oxo-2,4,13-trioxatetracyclo[7.7.1.01,12.05,17]heptadecan-11-yl] 3-chloropropanoate

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](CN1C=NC2=C(N=CN=C21)NC(=O)C3=CC=CC=C3)OCP(=O)(OC(C)C)OC(C)C

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](CN1C=NC2=C(N=CN=C21)NC(=O)C3=CC=CC=C3)OCP(=O)(OC(C)C)OC(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):