Geometry & MOs

Info

ID:	159583
PubChem CID:	57288492
Reduced:	C27H56 (1)
Stoich.:	A27B56 (1)
Weight, g/mol:	469.092654
ΔH_f, kcal/mol:	-130.3
Dipole, Da:	0.14
IP(EA), eV:	-10.28(4.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-carboxyphenoxy)-[[(2-phenylacetyl)amino]methyl]phosphoryl]oxybenzoic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)CC(CCCCCC)CCCCCC

DOS

IR

Vibrations