Geometry & MOs

Info

ID:	64064
PubChem CID:	29195973
Reduced:	ClON3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	472.097204
ΔH_f, kcal/mol:	14.8
Dipole, Da:	1.59
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-nitrophenyl)-2-[(5S)-3-cyclopropyl-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations