Geometry & MOs

Info

ID:	124354
PubChem CID:	50880170
Reduced:	ClN3O4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	420.057838
ΔH_f, kcal/mol:	-128.42
Dipole, Da:	7.07
IP(EA), eV:	-8.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[5,7-dimethyl-2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)N

DOS

IR

Vibrations