Geometry & MOs

Info

ID:

302915

PubChem CID:

124403656

Reduced:

N3O5C28H33 (1)

Stoich.:

A3B5C28D33 (1)

Weight, g/mol:

522.211449

ΔHf, kcal/mol:

-140.22

Dipole, Da:

5.03

IP(EA), eV:

 -8.56(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 5-[[2-[(2R,4aR,8aS)-3-oxo-1-(phenylcarbamoyl)-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)/C=C/C4=CC=C(C=C4)OC

DOS

IR

Vibrations