Geometry & MOs

Info

ID:

335087

PubChem CID:

127253893

Reduced:

NO8H21C27 (1)

Stoich.:

AB8C21D27 (1)

Weight, g/mol:

485.195071

ΔHf, kcal/mol:

-248.59

Dipole, Da:

4.83

IP(EA), eV:

 -9.31(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=CC5=C(C=C4)OC(=O)C=C5)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations