Geometry & MOs

Info

ID:	324852
PubChem CID:	126678475
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	523.329774
ΔH_f, kcal/mol:	-162.19
Dipole, Da:	9.87
IP(EA), eV:	-9.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(3,4-dihydroxy-1-methylcyclohexa-2,4-dien-1-yl)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations