Geometry & MOs

Info

ID:	229733
PubChem CID:	87568696
Reduced:	FS2N4O6C24H27 (1)
Stoich.:	AB2C4D6E24F27 (1)
Weight, g/mol:	351.07054
ΔH_f, kcal/mol:	-226.26
Dipole, Da:	1.3
IP(EA), eV:	-9.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)CC1CC(=O)/C(=C/2\NC3=C(C=C(C=C3)NS(=O)(=O)C)S(=O)(=O)N2)/C(=O)N1CC4=CC=C(C=C4)F

DOS

IR

Vibrations