Geometry & MOs

Info

ID:	302291
PubChem CID:	124361104
Reduced:	N4O5C24H28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	452.20597
ΔH_f, kcal/mol:	-181.86
Dipole, Da:	4.64
IP(EA), eV:	-9.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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