Geometry & MOs

Info

ID:	172379
PubChem CID:	75501131
Reduced:	OSF3N4C13H13 (1)
Stoich.:	ABC3D4E13F13 (1)
Weight, g/mol:	297.07474
ΔH_f, kcal/mol:	-132.35
Dipole, Da:	4.87
IP(EA), eV:	-9.02(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanylmethyl]piperidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)CSC2=NN=C3N2C=C(C=C3)C(F)(F)F

DOS

IR

Vibrations