Geometry & MOs

Info

ID:	218593
PubChem CID:	85089658
Reduced:	N2F3O4C25H33 (1)
Stoich.:	A2B3C4D25E33 (1)
Weight, g/mol:	482.26447
ΔH_f, kcal/mol:	-338.22
Dipole, Da:	4.68
IP(EA), eV:	-8.99(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexadecanoyl-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphinic acid

Drug info:

PubChemData

Smile

CC(C)C1(CCC(C1)NC2CCOCC2)C(=O)N3CC(C4=C(C3)C=C(C=C4)C(F)(F)F)C(=O)O

DOS

IR

Vibrations