Geometry & MOs

Info

ID:	232041
PubChem CID:	87575248
Reduced:	SN4O4C26H26 (1)
Stoich.:	AB4C4D26E26 (1)
Weight, g/mol:	669.509726
ΔH_f, kcal/mol:	-43.27
Dipole, Da:	4.22
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(E)-1-amino-3-oxoicos-11-en-2-yl]oxy-hydroxyphosphoryl] (E)-octadec-9-enoate

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(N1)C=C(C=C2)C3=CC4=C(C=C3)OCCN(C4)C5=C(C=CC(=C5)S(=O)(=O)C)C=O

DOS

IR

Vibrations