Geometry & MOs

Info

ID:	298850
PubChem CID:	117661737
Reduced:	FPN5O8C18H25 (1)
Stoich.:	ABC5D8E18F25 (1)
Weight, g/mol:	446.01876
ΔH_f, kcal/mol:	-412.68
Dipole, Da:	10.07
IP(EA), eV:	-9.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-oxononyl) prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNP(=O)(O)OC[C@@H]2C(C([C@@H](O2)N3C=CC(=NC3=O)N)(C)F)O)CO

DOS

IR

Vibrations