Geometry & MOs

Info

ID:	44004
PubChem CID:	10322856
Reduced:	ClO2N4C27H31 (1)
Stoich.:	AB2C4D27E31 (1)
Weight, g/mol:	480.13647
ΔH_f, kcal/mol:	-31.24
Dipole, Da:	3.48
IP(EA), eV:	-7.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-2-carboxy-2-(1,3-dioxoisoindol-2-yl)ethyl]-triphenylphosphanium

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)COC3=CC=C(C=C3)Cl)N4CCC(CC4)N5CCCC5

DOS

IR

Vibrations