Geometry & MOs

Info

ID:	66429
PubChem CID:	46504558
Reduced:	BrS2O3N4H13C15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	408.038454
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	6.91
IP(EA), eV:	-9.03(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations