Geometry & MOs

Info

ID:	238909
PubChem CID:	93165714
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-170.81
Dipole, Da:	3.12
IP(EA), eV:	-9.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-methyl-2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CC(=O)N(C1)C2=CC=CC=C2

DOS

IR

Vibrations