Geometry & MOs

Info

ID:	347565
PubChem CID:	127272420
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	2.23
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-anilinopyrrolidin-1-yl)-N-(cyclohexylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C(C)N3CCC(C3)NC4=CC=CC=C4)C

DOS

IR

Vibrations