Geometry & MOs

Info

ID:	4046
PubChem CID:	10635
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	5.18
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C

DOS

IR

Vibrations