Geometry & MOs

Info

ID:	49284
PubChem CID:	11532650
Reduced:	NNaO3H24C29 (1)
Stoich.:	ABC3D24E29 (1)
Weight, g/mol:	435.183444
ΔH_f, kcal/mol:	-75.06
Dipole, Da:	8.53
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[N-(3-phenylpropanoyl)anilino]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)N(CC2=CC(=CC=C2)C3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4.[Na+]

DOS

IR

Vibrations