Geometry & MOs

Info

ID:

302293

PubChem CID:

124361107

Reduced:

N4O6H26C27 (1)

Stoich.:

A4B6C26D27 (1)

Weight, g/mol:

502.185235

ΔHf, kcal/mol:

-185.8

Dipole, Da:

3.71

IP(EA), eV:

 -8.96(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-(4-hydroxyphenyl)-2-[[(2S)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(=O)NC2=CC=CC=C2N1C(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)O

DOS

IR

Vibrations