Geometry & MOs

Info

ID:	216949
PubChem CID:	85087024
Reduced:	SO3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	318.219495
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	2.51
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,10-dihydroxy-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)OC1CC=CC(C2C1CCC2O)SC3=CC=CC=C3

DOS

IR

Vibrations