Geometry & MOs

Info

ID:	301867
PubChem CID:	123098627
Reduced:	ClNSO2H18C21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	398.091198
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	5.57
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfinylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations