Geometry & MOs

Info

ID:	70370
PubChem CID:	48413252
Reduced:	SO2F3N4C18H23 (1)
Stoich.:	AB2C3D4E18F23 (1)
Weight, g/mol:	418.099655
ΔH_f, kcal/mol:	-175.9
Dipole, Da:	7.6
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-thiophen-2-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N2CCC(CC2)N(C)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations