Geometry & MOs

Info

ID:	324854
PubChem CID:	126678477
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-257.66
Dipole, Da:	7.58
IP(EA), eV:	-9.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1C[C@H](C[C@H]1C(=O)O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations