Geometry & MOs

Info

ID:	302281
PubChem CID:	124361032
Reduced:	O3N4C30H36 (1)
Stoich.:	A3B4C30D36 (1)
Weight, g/mol:	388.17467
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	3.19
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCNC(=O)[C@@H](C(C)C)NC(=O)[C@H]1CC2=C([C@@H]3N1C(=O)C4=CC=CC=C34)NC5=CC=CC=C25

DOS

IR

Vibrations