Geometry & MOs

Info

ID:	1429
PubChem CID:	4408
Reduced:	PO10C12H19 (1)
Stoich.:	AB10C12D19 (1)
Weight, g/mol:	354.071584
ΔH_f, kcal/mol:	-511.13
Dipole, Da:	4.21
IP(EA), eV:	-11.14(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,4-dicarboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid

Drug info:

PubChemData

Smile

C(CC(=O)O)C(CP(=O)(CC(CCC(=O)O)C(=O)O)O)C(=O)O

DOS

IR

Vibrations