Geometry & MOs

Info

ID:	139664
PubChem CID:	52576535
Reduced:	SO2F3N4C19H20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	423.02523
ΔH_f, kcal/mol:	-144.14
Dipole, Da:	8.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.010752
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-2-[cyclopropyl(pyridin-3-ylsulfonyl)amino]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=C[N+]3=CC=CC=C3N2)C4=CC=CC=C4S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations