Geometry & MOs

Info

ID:	139415
PubChem CID:	52526140
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	470.117939
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	4.48
IP(EA), eV:	-8.66(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)CC(=O)NC1=CC=CC=C1

DOS

IR

Vibrations