Geometry & MOs

Info

ID:	78067
PubChem CID:	49681627
Reduced:	S2N3O4C23H29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	461.144299
ΔH_f, kcal/mol:	-116.87
Dipole, Da:	7.1
IP(EA), eV:	-8.9(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCN1C2=C(C=C(C=C2)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C

DOS

IR

Vibrations