Geometry & MOs

Info

ID:

67321

PubChem CID:

46506274

Reduced:

SN3O5C31H35 (1)

Stoich.:

AB3C5D31E35 (1)

Weight, g/mol:

561.266128

ΔHf, kcal/mol:

-114.32

Dipole, Da:

4.98

IP(EA), eV:

 -8.53(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(N-ethyl-3-methylanilino)propyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations