Geometry & MOs

Info

ID:	372007
PubChem CID:	131285928
Reduced:	FINOH5C8 (1)
Stoich.:	ABCDE5F8 (1)
Weight, g/mol:	189.045964
ΔH_f, kcal/mol:	-10.05
Dipole, Da:	5.29
IP(EA), eV:	-9.61(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]propanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)I)C#N)F

DOS

IR

Vibrations