Geometry & MOs

Info

ID:	203539
PubChem CID:	79842830
Reduced:	NOSC5H9 (2)
Stoich.:	ABCD5E9 (2)
Weight, g/mol:	351.98925
ΔH_f, kcal/mol:	-55.09
Dipole, Da:	5.09
IP(EA), eV:	-8.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)C(CN)C1=CSC=C1

DOS

IR

Vibrations