Geometry & MOs

Info

ID:	124693
PubChem CID:	50892771
Reduced:	NSCl3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	391.025677
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	7.65
IP(EA), eV:	-9.6(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C(C)C(=O)Cl)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations