Geometry & MOs

Info

ID:	444286
PubChem CID:	135261960
Reduced:	FOC2H3 (3)
Stoich.:	ABC2D3 (3)
Weight, g/mol:	444.110356
ΔH_f, kcal/mol:	-281.58
Dipole, Da:	0.43
IP(EA), eV:	-10.52(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(5-cyano-2,4-dioxopyrimidin-1-yl)quinolin-6-yl]oxypentyl methanesulfonate

Drug info:

PubChemData

Smile

C(C=C(CF)CF)F.C(=O)(O)O

DOS

IR

Vibrations