Geometry & MOs

Info

ID:	62518
PubChem CID:	26719827
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	21.45
Dipole, Da:	8.34
IP(EA), eV:	-8.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)/C=C/C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations