Geometry & MOs

Info

ID:	78118
PubChem CID:	49681687
Reduced:	N3S3O4C22H27 (1)
Stoich.:	A3B3C4D22E27 (1)
Weight, g/mol:	473.090155
ΔH_f, kcal/mol:	-105.94
Dipole, Da:	5.69
IP(EA), eV:	-8.78(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(propan-2-yl)sulfamoyl]-N-(6-methylsulfanyl-3-prop-2-ynyl-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)CCOC

DOS

IR

Vibrations