Geometry & MOs

Info

ID:	60828
PubChem CID:	26702516
Reduced:	SN4O6H18C22 (1)
Stoich.:	AB4C6D18E22 (1)
Weight, g/mol:	455.070655
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	6.52
IP(EA), eV:	-8.92(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chlorobenzoyl)amino]phenyl] 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=NC(=CS2)CC(=O)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations