Geometry & MOs

Info

ID:	238907
PubChem CID:	93165710
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-71.74
Dipole, Da:	4.95
IP(EA), eV:	-8.55(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1[C@@H](C2=CC=CC=C2O)C(=O)N3CCNCC3

DOS

IR

Vibrations