Geometry & MOs

Info

ID:	141595
PubChem CID:	52900379
Reduced:	SO3N4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	451.156577
ΔH_f, kcal/mol:	-26.58
Dipole, Da:	6.32
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2NC3=CC=CC=C3C(=O)N2CC(=O)NC4=NC=CS4

DOS

IR

Vibrations