Geometry & MOs

Info

ID:

334381

PubChem CID:

127252933

Reduced:

N5O8C37H43 (1)

Stoich.:

A5B8C37D43 (1)

Weight, g/mol:

388.127051

ΔHf, kcal/mol:

-76.06

Dipole, Da:

7.93

IP(EA), eV:

 -8.13(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-6,7-dimethoxy-2-(5-methoxy-4-oxopyran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC(=C(C=C1)OC)C2=NN=C(O2)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations