Geometry & MOs

Info

ID:	312335
PubChem CID:	126604328
Reduced:	FO2N7H20C24 (1)
Stoich.:	AB2C7D20E24 (1)
Weight, g/mol:	434.206955
ΔH_f, kcal/mol:	44.84
Dipole, Da:	5.23
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[bis(2-carboxyethyl)phosphanylmethyl]hexyl]heptanedioic acid

Drug info:

PubChemData

Smile

C[C@H](CN1C2=NC=NC(=C2C(=N1)C3=C(C=C(C=C3)OC4=CC=CC=C4)F)N)NC(=O)C(=C)C#N

DOS

IR

Vibrations