Geometry & MOs

Info

ID:	78047
PubChem CID:	49681596
Reduced:	ClS2N3O3C19H20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	417.118084
ΔH_f, kcal/mol:	-64.31
Dipole, Da:	6.98
IP(EA), eV:	-9.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC=C3Cl)C

DOS

IR

Vibrations