Geometry & MOs

Info

ID:	247949
PubChem CID:	103077707
Reduced:	BrClFSN3O3C10H12 (1)
Stoich.:	ABCDE3F3G10H12 (1)
Weight, g/mol:	401.92744
ΔH_f, kcal/mol:	-160.12
Dipole, Da:	6.34
IP(EA), eV:	-9.25(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-6-fluoro-5-(2-methylthiomorpholin-4-yl)sulfonylaniline

Drug info:

PubChemData

Smile

CC(CC(=O)N)NS(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations