Geometry & MOs

Info

ID:	66428
PubChem CID:	46504556
Reduced:	S2O3N5C21H25 (1)
Stoich.:	A2B3C5D21E25 (1)
Weight, g/mol:	439.96125
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	2.27
IP(EA), eV:	-8.85(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43)C

DOS

IR

Vibrations