Geometry & MOs

Info

ID:	158429
PubChem CID:	56463630
Reduced:	BrSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-98.78
Dipole, Da:	10.29
IP(EA), eV:	-8.68(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)NC2=CC=C(C=C2)Br)N(C)C3CC3

DOS

IR

Vibrations