Geometry & MOs

Info

ID:	78058
PubChem CID:	49681614
Reduced:	S2N3O5C22H27 (1)
Stoich.:	A2B3C5D22E27 (1)
Weight, g/mol:	475.159949
ΔH_f, kcal/mol:	-145.56
Dipole, Da:	9.24
IP(EA), eV:	-8.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C)OC)OC

DOS

IR

Vibrations