Geometry & MOs

Info

ID:

334482

PubChem CID:

127253157

Reduced:

Cl2N2O7C38H44 (1)

Stoich.:

A2B2C7D38E44 (1)

Weight, g/mol:

465.226371

ΔHf, kcal/mol:

-126.04

Dipole, Da:

14.81

IP(EA), eV:

 -5.81(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxy-2-[(2S,3S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C=C7CCN6)OC)OC3=C(C(=C2OC)OC)OC)C=C5.Cl.Cl

DOS

IR

Vibrations