Geometry & MOs

Info

ID:	78110
PubChem CID:	49681679
Reduced:	S2N3O5C23H27 (1)
Stoich.:	A2B3C5D23E27 (1)
Weight, g/mol:	487.123563
ΔH_f, kcal/mol:	-116.3
Dipole, Da:	8.7
IP(EA), eV:	-8.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dimethoxy-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(=C(C=C3S2)OC)OC)CC=C

DOS

IR

Vibrations