Geometry & MOs

Info

ID:	78117
PubChem CID:	49681686
Reduced:	N3O3S3C20H23 (1)
Stoich.:	A3B3C3D20E23 (1)
Weight, g/mol:	493.11637
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	7.66
IP(EA), eV:	-8.66(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methoxyethyl)-6-methylsulfanyl-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=C(S2)C=C(C=C3)SC)C

DOS

IR

Vibrations