Geometry & MOs

Info

ID:	31916
PubChem CID:	3723284
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	330.25588
ΔH_f, kcal/mol:	-117.61
Dipole, Da:	1.27
IP(EA), eV:	-9.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-4,4,10,13,17-pentamethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)CNC(=O)CN2C(=O)OC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations