Geometry & MOs

Info

ID:	238908
PubChem CID:	93165713
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-170.8
Dipole, Da:	3.11
IP(EA), eV:	-9.12(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-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