Geometry & MOs

Info

ID:	78036
PubChem CID:	49681581
Reduced:	S2N4O5C19H20 (1)
Stoich.:	A2B4C5D19E20 (1)
Weight, g/mol:	403.102434
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	7.08
IP(EA), eV:	-9.39(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-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=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations