Geometry & MOs

Info

ID:	78044
PubChem CID:	49681591
Reduced:	S2N3O3C21H25 (1)
Stoich.:	A2B3C3D21E25 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	6.79
IP(EA), eV:	-8.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)N2C)C

DOS

IR

Vibrations