Geometry & MOs

Info

ID:	144655
PubChem CID:	53394257
Reduced:	O3C22H32 (1)
Stoich.:	A3B22C32 (1)
Weight, g/mol:	662.403309
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	5.56
IP(EA), eV:	-9.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[2-(7-carboxy-5-oxohept-6-enoyl)oxy-3-hexadecanoyloxypropoxy]-methylphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CCC=CCC(C=CC=CCCC(=O)O)O

DOS

IR

Vibrations