Geometry & MOs

Info

ID:	2123
PubChem CID:	5879
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	-133.27
Dipole, Da:	3.1
IP(EA), eV:	-9.65(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O

DOS

IR

Vibrations