Geometry & MOs

Info

ID:	218507
PubChem CID:	85089546
Reduced:	N4O5C26H26 (1)
Stoich.:	A4B5C26D26 (1)
Weight, g/mol:	474.204239
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	5.91
IP(EA), eV:	-9.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-[3-hydroxy-4-(hydroxymethyl)-5-oxo-5-phenylmethoxypentyl]phenyl]phenyl]but-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CCN=[N+]=[N-])(C(=O)O)N(C(C2=CC=CC=C2)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations