Geometry & MOs

Info

ID:

335060

PubChem CID:

127253866

Reduced:

N3O8H31C34 (1)

Stoich.:

A3B8C31D34 (1)

Weight, g/mol:

499.210721

ΔHf, kcal/mol:

-217.41

Dipole, Da:

8.31

IP(EA), eV:

 -9.12(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CC12CC(N3C2=C(C4(C3=O)/C(=C(/C5=CC=C(C=C5)OC)\O)/C(=O)C(=O)N4C6=CC=CC=C6O)C(=O)N)(C)C)C

DOS

IR

Vibrations