Geometry & MOs

Info

ID:	222052
PubChem CID:	85293672
Reduced:	NSO8C25H33 (1)
Stoich.:	ABC8D25E33 (1)
Weight, g/mol:	508.332904
ΔH_f, kcal/mol:	-281.15
Dipole, Da:	6.2
IP(EA), eV:	-9.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-diethoxyphosphoryl-4-fluoro-2-hydroxybutyl) octadec-9-enoate

Drug info:

PubChemData

Smile

CCCCC#CCC(CC=C(CNS(=O)(=O)C1=CC=C(C=C1)C)C(=O)OC)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations