Geometry & MOs

Info

ID:	78120
PubChem CID:	49681689
Reduced:	N3O3S3C21H25 (1)
Stoich.:	A3B3C3D21E25 (1)
Weight, g/mol:	493.11637
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	10.81
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-methoxy-3-(2-methylsulfanylethyl)-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=CC=C3S2)CCSC

DOS

IR

Vibrations