Geometry & MOs

Info

ID:	324853
PubChem CID:	126678476
Reduced:	NO5C32H45 (1)
Stoich.:	AB5C32D45 (1)
Weight, g/mol:	364.163436
ΔH_f, kcal/mol:	-162.94
Dipole, Da:	5.24
IP(EA), eV:	-9.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-hydroxy-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)N[C@@H](CC1(CC=C(C(=C1)O)O)C)C(=O)O

DOS

IR

Vibrations