Geometry & MOs

Info

ID:	62186
PubChem CID:	26717907
Reduced:	BrFSN2O3C16H16 (1)
Stoich.:	ABCD2E3F16G16 (1)
Weight, g/mol:	368.080633
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	5.34
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations