Geometry & MOs

Info

ID:	78119
PubChem CID:	49681688
Reduced:	N3O3S3C22H23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	463.105805
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	8.76
IP(EA), eV:	-8.51(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(propan-2-yl)sulfamoyl]-N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]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)SC)CC#C

DOS

IR

Vibrations