Geometry & MOs

Info

ID:	226363
PubChem CID:	87350826
Reduced:	N3O4C32H49 (1)
Stoich.:	A3B4C32D49 (1)
Weight, g/mol:	581.382872
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	4.81
IP(EA), eV:	-9.34(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[[3-[[(4E,7E,10E,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]-2-morpholin-4-ylpropyl]amino]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCCNCCNC(=O)/C=C/C(=O)OC

DOS

IR

Vibrations