Geometry & MOs

Info

ID:	1173
PubChem CID:	3908
Reduced:	SN2O6C25H40 (1)
Stoich.:	AB2C6D25E40 (1)
Weight, g/mol:	496.260708
ΔH_f, kcal/mol:	-257.49
Dipole, Da:	9.89
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-amino-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid

Drug info:

PubChemData

Smile

CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NCC(=O)O)N

DOS

IR

Vibrations