Geometry & MOs

Info

ID:	78061
PubChem CID:	49681621
Reduced:	S2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	481.089676
ΔH_f, kcal/mol:	-98.14
Dipole, Da:	8.37
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-3-(2-methoxyethyl)-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)CCOC

DOS

IR

Vibrations