Geometry & MOs

Info

ID:	266819
PubChem CID:	103579638
Reduced:	FSCl2N2H7C8 (1)
Stoich.:	ABC2D2E7F8 (1)
Weight, g/mol:	215.098
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	7.47
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxolan-2-ylmethylsulfinyl)pentanenitrile

Drug info:

PubChemData

Smile

CNC(=S)NC1=CC(=C(C(=C1)Cl)F)Cl

DOS

IR

Vibrations