Geometry & MOs

Info

ID:

334861

PubChem CID:

127253667

Reduced:

N5O8C34H37 (1)

Stoich.:

A5B8C34D37 (1)

Weight, g/mol:

451.210721

ΔHf, kcal/mol:

-227.37

Dipole, Da:

8.34

IP(EA), eV:

 -8.71(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCN1C2=CC=CC=C2NC(=O)C1=O)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations