Geometry & MOs

Info

ID:	338311
PubChem CID:	127259003
Reduced:	SO5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	637.239258
ΔH_f, kcal/mol:	-164.31
Dipole, Da:	5.87
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;(2S,4S)-1-[2-[[1-(2-carboxylatoacetyl)oxy-2-methylpropoxy]-(4-phenylbutyl)phosphoryl]acetyl]-4-cyclohexylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOS(=O)(=O)C1=C(C=C(C=C1)C)OC2=CC=CC=C2OC

DOS

IR

Vibrations