Geometry & MOs

Info

ID:	142200
PubChem CID:	53000190
Reduced:	ClSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	478.096535
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	9.82
IP(EA), eV:	-8.96(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-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(=CC=C3)Cl)C

DOS

IR

Vibrations