Geometry & MOs

Info

ID:	403255
PubChem CID:	135059395
Reduced:	ClNSO3H16C24 (1)
Stoich.:	ABCD3E16F24 (1)
Weight, g/mol:	266.105528
ΔH_f, kcal/mol:	-42.31
Dipole, Da:	6.8
IP(EA), eV:	-8.87(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-(pyridin-2-ylmethyl)-4H-isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Cl)C4=C(C2=O)C=CC5=CC=CC=C54

DOS

IR

Vibrations