Geometry & MOs

Info

ID:	129411
PubChem CID:	51072511
Reduced:	OS2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	26.88
Dipole, Da:	1.13
IP(EA), eV:	-8.78(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NCCS3)C

DOS

IR

Vibrations