Geometry & MOs

Info

ID:	142201
PubChem CID:	53000191
Reduced:	ClSN2O6C22H23 (1)
Stoich.:	ABC2D6E22F23 (1)
Weight, g/mol:	432.091056
ΔH_f, kcal/mol:	-195.08
Dipole, Da:	10.76
IP(EA), eV:	-8.15(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-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=CC(=C(C=C3OC)OC)Cl)C

DOS

IR

Vibrations