Geometry & MOs

Info

ID:	78038
PubChem CID:	49681584
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	447.128649
ΔH_f, kcal/mol:	-65.83
Dipole, Da:	8.28
IP(EA), eV:	-8.85(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)S2)C

DOS

IR

Vibrations