Geometry & MOs

Info

ID:	5400
PubChem CID:	13108
Reduced:	O2C21H32 (1)
Stoich.:	A2B21C32 (1)
Weight, g/mol:	316.24023
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	5.12
IP(EA), eV:	-9.74(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC[C@@]1(CC[C@@H]2C1(CC[C@H]3C2CCC4=CC(=O)CCC34)CC)O

DOS

IR

Vibrations