Geometry & MOs

Info

ID:	222384
PubChem CID:	85297323
Reduced:	SO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	416.329045
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	1.56
IP(EA), eV:	-8.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(OCC(O1)C(=CC(=O)OC)C(SC2=CC=CC=C2)SC3=CC=CC=C3)C

DOS

IR

Vibrations