Geometry & MOs

Info

ID:	66431
PubChem CID:	46504560
Reduced:	S2O3N5C19H27 (1)
Stoich.:	A2B3C5D19E27 (1)
Weight, g/mol:	398.031889
ΔH_f, kcal/mol:	-57.93
Dipole, Da:	10.13
IP(EA), eV:	-8.89(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(3,4-difluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43

DOS

IR

Vibrations