Geometry & MOs

Info

ID:	146508
PubChem CID:	53699258
Reduced:	NO2C25H27 (1)
Stoich.:	AB2C25D27 (1)
Weight, g/mol:	469.041853
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	6.77
IP(EA), eV:	-8.4(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-6-methylphenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-1,3-benzothiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)NC=C3C=CC=CC3=O

DOS

IR

Vibrations