Geometry & MOs

Info

ID:	395242
PubChem CID:	135025007
Reduced:	FO6C16H19 (1)
Stoich.:	AB6C16D19 (1)
Weight, g/mol:	390.122714
ΔH_f, kcal/mol:	-277.31
Dipole, Da:	4.22
IP(EA), eV:	-9.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-2-oxo-6-[[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)CC2C(C([C@@H](C(O2)CO)O)O)O)F

DOS

IR

Vibrations