Geometry & MOs

Info

ID:	170998
PubChem CID:	75310178
Reduced:	NSO4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	383.282429
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	6.75
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1C(NS(=O)(=O)CO1)COCC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations