Geometry & MOs

Info

ID:	78091
PubChem CID:	49681655
Reduced:	S2N3O5C23H23 (1)
Stoich.:	A2B3C5D23E23 (1)
Weight, g/mol:	427.102434
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	7.64
IP(EA), eV:	-9.12(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(propan-2-yl)sulfamoyl]-N-(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)C(=O)OC)CC#C

DOS

IR

Vibrations