Geometry & MOs

Info

ID:	189249
PubChem CID:	77833123
Reduced:	NO3C36H53 (1)
Stoich.:	AB3C36D53 (1)
Weight, g/mol:	513.236578
ΔH_f, kcal/mol:	-154.29
Dipole, Da:	6.6
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-carboxypyrrolidin-1-yl)-1-hydroxy-6-(phenylmethoxycarbonylamino)hexan-2-yl]oxy-(5-hydroxypentyl)-oxophosphanium

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCCCCC(=O)NC1=CC=CC(=C1)C(C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations