Geometry & MOs

Info

ID:	188691
PubChem CID:	77754264
Reduced:	BrNSO4C18H28 (1)
Stoich.:	ABCD4E18F28 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	-195.47
Dipole, Da:	2.62
IP(EA), eV:	-8.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-7,13-dimethyl-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)OCC)NC1=CC=C(S1)CCCCCBr

DOS

IR

Vibrations