Geometry & MOs

Info

ID:	78092
PubChem CID:	49681656
Reduced:	S2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	461.063462
ΔH_f, kcal/mol:	1.68
Dipole, Da:	7.79
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-3-prop-2-ynyl-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=CC=CC=C3S2)CC#C

DOS

IR

Vibrations