Geometry & MOs

Info

ID:	301959
PubChem CID:	123105167
Reduced:	ClNSO4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	375.030762
ΔH_f, kcal/mol:	-115.09
Dipole, Da:	2.69
IP(EA), eV:	-8.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methylsulfinyl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CS(=O)CC2=CC=CC=C2Cl)OC

DOS

IR

Vibrations