Geometry & MOs

Info

ID:

67320

PubChem CID:

46506270

Reduced:

ClSN3O4C30H32 (1)

Stoich.:

ABC3D4E30F32 (1)

Weight, g/mol:

561.229742

ΔHf, kcal/mol:

-87.92

Dipole, Da:

6.47

IP(EA), eV:

 -8.56(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,7-dimethoxy-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-methyl-3-(4-methylsulfanylphenyl)-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)SC

DOS

IR

Vibrations