Geometry & MOs

Info

ID:	318196
PubChem CID:	126649519
Reduced:	ON8H22C27 (1)
Stoich.:	AB8C22D27 (1)
Weight, g/mol:	507.298473
ΔH_f, kcal/mol:	159.09
Dipole, Da:	2.78
IP(EA), eV:	-8.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)-2-[[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC5=CC=NC6=CC=CC=C65)N(C(=N1)N)O

DOS

IR

Vibrations