Geometry & MOs

Info

ID:	124403
PubChem CID:	50881911
Reduced:	ClNOC8H8 (2)
Stoich.:	ABCD8E8 (2)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	-66.03
Dipole, Da:	3.34
IP(EA), eV:	-8.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC(=O)NC2=C(C=C(C(=C2)Cl)N)Cl)C

DOS

IR

Vibrations