Geometry & MOs

Info

ID:	78095
PubChem CID:	49681659
Reduced:	S2N4O5H20C21 (1)
Stoich.:	A2B4C5D20E21 (1)
Weight, g/mol:	457.112999
ΔH_f, kcal/mol:	-8.25
Dipole, Da:	4.36
IP(EA), eV:	-9.41(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-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=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

DOS

IR

Vibrations