Geometry & MOs

Info

ID:

302292

PubChem CID:

124361105

Reduced:

N4O5C24H28 (1)

Stoich.:

A4B5C24D28 (1)

Weight, g/mol:

502.185235

ΔHf, kcal/mol:

-185.03

Dipole, Da:

5.9

IP(EA), eV:

 -9.2(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)N2CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations