Geometry & MOs

Info

ID:	85192
PubChem CID:	49872256
Reduced:	NO2F3C29H38 (1)
Stoich.:	AB2C3D29E38 (1)
Weight, g/mol:	576.206977
ΔH_f, kcal/mol:	-258.71
Dipole, Da:	3.96
IP(EA), eV:	-8.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]-3-methylsulfonylpropanamide

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC(=C(C=C1)C2CCCN(C2)CC(C)(C)C)C3=CC=C(C=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations