Geometry & MOs

Info

ID:	302286
PubChem CID:	124361091
Reduced:	N4O5C21H30 (1)
Stoich.:	A4B5C21D30 (1)
Weight, g/mol:	418.22162
ΔH_f, kcal/mol:	-226.68
Dipole, Da:	2.47
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations