Geometry & MOs

Info

ID:	307525
PubChem CID:	125307348
Reduced:	O3N4C10H12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	428.256274
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	3.92
IP(EA), eV:	-10.18(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9R,10S,13S,14R,17S)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NN2C(=O)CC(=NC2=N1)C

DOS

IR

Vibrations