Geometry & MOs

Info

ID:	302288
PubChem CID:	124361097
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	467.180484
ΔH_f, kcal/mol:	-48.57
Dipole, Da:	3.06
IP(EA), eV:	-8.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-amino-5-oxo-2-[[(2R)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@@H]2C[C@@H](N[C@]23C4=CC=CC=C4NC3=O)CC5=CC=CC=C5

DOS

IR

Vibrations