Geometry & MOs

Info

ID:	149270
PubChem CID:	53788942
Reduced:	N2F3O7C15H17 (1)
Stoich.:	A2B3C7D15E17 (1)
Weight, g/mol:	480.27569
ΔH_f, kcal/mol:	-354.99
Dipole, Da:	11.32
IP(EA), eV:	-9.45(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-decanoyloxy-3-sulfooxypropyl] decanoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)O)OC)NC(=O)C(F)(F)F

DOS

IR

Vibrations