Geometry & MOs

Info

ID:	315715
PubChem CID:	126628609
Reduced:	NH21C22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	555.217876
ΔH_f, kcal/mol:	80.19
Dipole, Da:	1.09
IP(EA), eV:	-7.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-(1-propan-2-ylsulfinylpiperidin-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxybenzamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC(=C31)C4=CC=CC=C4)C)C

DOS

IR

Vibrations