Geometry & MOs

Info

ID:	424153
PubChem CID:	135121519
Reduced:	ON2H18C21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	357.08235
ΔH_f, kcal/mol:	42.88
Dipole, Da:	3.8
IP(EA), eV:	-8.28(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methylphenyl)sulfanyl-3-phenylisoquinoline-5,8-dione

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=C1C=C(C=C3)N/C=C\4/C=CC=CC4=O

DOS

IR

Vibrations