Geometry & MOs

Info

ID:	78048
PubChem CID:	49681597
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	431.133734
ΔH_f, kcal/mol:	-62.42
Dipole, Da:	8.69
IP(EA), eV:	-8.92(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations