Geometry & MOs

Info

ID:	5789
PubChem CID:	13790
Reduced:	O2C23H32 (1)
Stoich.:	A2B23C32 (1)
Weight, g/mol:	340.24023
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	5.62
IP(EA), eV:	-9.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-17-acetyl-6,10,13,17-tetramethyl-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=CC2C3CC[C@](C3(CCC2C4(C1=CC(=O)CC4)C)C)(C)C(=O)C

DOS

IR

Vibrations