Geometry & MOs

Info

ID:	62541
PubChem CID:	26719850
Reduced:	ClSN2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	315.11384
ΔH_f, kcal/mol:	-74.22
Dipole, Da:	3.29
IP(EA), eV:	-8.97(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3)Cl

DOS

IR

Vibrations