Geometry & MOs

Info

ID:	194613
PubChem CID:	78561877
Reduced:	ClN2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	350.083747
ΔH_f, kcal/mol:	-83.52
Dipole, Da:	3.48
IP(EA), eV:	-8.97(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-oxo-1H-phthalazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)C2=C3CCCCC3=NC4=CC=CC=C42

DOS

IR

Vibrations