Geometry & MOs

Info

ID:	78115
PubChem CID:	49681684
Reduced:	S2N3O4C24H31 (1)
Stoich.:	A2B3C4D24E31 (1)
Weight, g/mol:	477.139213
ΔH_f, kcal/mol:	-122.86
Dipole, Da:	8.43
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCOCCN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C

DOS

IR

Vibrations