Geometry & MOs

Info

ID:	226377
PubChem CID:	87351215
Reduced:	ON2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	612.341067
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	2.69
IP(EA), eV:	-8.79(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]acetyl]oxy-2-[[(E)-4-methoxy-4-oxobut-2-enoyl]amino]butanoate

Drug info:

PubChemData

Smile

CCNC(=O)C(=C)CN(C)C

DOS

IR

Vibrations