Geometry & MOs

Info

ID:	727
PubChem CID:	3272
Reduced:	O2C9H12 (3)
Stoich.:	A2B9C12 (3)
Weight, g/mol:	456.251189
ΔH_f, kcal/mol:	-298.66
Dipole, Da:	1.4
IP(EA), eV:	-8.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[13-methyl-3,17-di(propanoyloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl] propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)CC)C)C=CC(=C4)OC(=O)CC

DOS

IR

Vibrations