Geometry & MOs

Info

ID:

334476

PubChem CID:

127253151

Reduced:

N2O3C18H20 (2)

Stoich.:

A2B3C18D20 (2)

Weight, g/mol:

479.242021

ΔHf, kcal/mol:

-120.83

Dipole, Da:

9.81

IP(EA), eV:

 -8.1(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC2=C1NC3=CC=CC=C23)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations