Geometry & MOs

Info

ID:	302284
PubChem CID:	124361079
Reduced:	N2O3C9H12 (2)
Stoich.:	A2B3C9D12 (2)
Weight, g/mol:	438.19032
ΔH_f, kcal/mol:	-246.23
Dipole, Da:	1.62
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[(2R)-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]-3-phenylpropanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)N1CC(=O)NC2=CC=CC=C21

DOS

IR

Vibrations