Geometry & MOs

Info

ID:	302290
PubChem CID:	124361103
Reduced:	N5O6C23H25 (1)
Stoich.:	A5B6C23D25 (1)
Weight, g/mol:	452.20597
ΔH_f, kcal/mol:	-220.61
Dipole, Da:	6.27
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations