Geometry & MOs

Info

ID:	142202
PubChem CID:	53000192
Reduced:	ClSN2O4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	432.091056
ΔH_f, kcal/mol:	-128.04
Dipole, Da:	9.38
IP(EA), eV:	-8.69(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[5-(4-ethylphenyl)-4-methyl-1,1,3-trioxo-1,2-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(C(=O)N(S2(=O)=O)CC(=O)NC3=C(C=C(C=C3)Cl)C)C

DOS

IR

Vibrations