Geometry & MOs

Info

ID:	138064
PubChem CID:	52305343
Reduced:	F2N3O3H21C22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-171.32
Dipole, Da:	7.54
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-propylsulfanylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)CCC(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations