Geometry & MOs

Info

ID:

302914

PubChem CID:

124403654

Reduced:

N3O5C26H31 (1)

Stoich.:

A3B5C26D31 (1)

Weight, g/mol:

491.242021

ΔHf, kcal/mol:

-179.2

Dipole, Da:

9.46

IP(EA), eV:

 -8.93(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,4aR,8aS)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations