Geometry & MOs

Info

ID:	15414
PubChem CID:	440701
Reduced:	O5C21H34 (1)
Stoich.:	A5B21C34 (1)
Weight, g/mol:	366.240624
ΔH_f, kcal/mol:	-275.06
Dipole, Da:	5.88
IP(EA), eV:	-9.79(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,17R)-17-(1,2-dihydroxyethyl)-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one

Drug info:

PubChemData

Smile

CC12CC[C@H](CC1CCC3C2C(=O)CC4(C3CC[C@@]4(C(CO)O)O)C)O

DOS

IR

Vibrations