Geometry & MOs

Info

ID:	318197
PubChem CID:	126649521
Reduced:	NO5C31H41 (1)
Stoich.:	AB5C31D41 (1)
Weight, g/mol:	507.298473
ΔH_f, kcal/mol:	-159.49
Dipole, Da:	5.03
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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

CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O

DOS

IR

Vibrations