Geometry & MOs

Info

ID:	324887
PubChem CID:	126678544
Reduced:	BrN2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	677.429153
ΔH_f, kcal/mol:	-167.06
Dipole, Da:	1.43
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-3-(3,4-dihydroxyphenyl)-2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]propanoyl]oxyethyl octanoate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN1C(=O)CNC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations