Geometry & MOs

Info

ID:	78476
PubChem CID:	49689877
Reduced:	SO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	358.149284
ΔH_f, kcal/mol:	-3.33
Dipole, Da:	5.09
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations