Geometry & MOs

Info

ID:	424160
PubChem CID:	135121559
Reduced:	N2O3H18C23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	387.092915
ΔH_f, kcal/mol:	-8.11
Dipole, Da:	1.66
IP(EA), eV:	-8.94(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-7-(4-methylphenyl)sulfanylisoquinoline-5,8-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC=C3C(=C2)C(=O)C=C(C3=O)NCC4=CC=CC=C4

DOS

IR

Vibrations