Geometry & MOs

Info

ID:	56453
PubChem CID:	17425501
Reduced:	NSO3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	326.082205
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-(1-oxoisoquinolin-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1C3=CSC(=N3)CC4=CC=CC=C4)C(=O)CO2

DOS

IR

Vibrations