Geometry & MOs

Info

ID:	70368
PubChem CID:	48413250
Reduced:	SO2F3N4C18H25 (1)
Stoich.:	AB2C3D4E18F25 (1)
Weight, g/mol:	412.143234
ΔH_f, kcal/mol:	-196.91
Dipole, Da:	3.41
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CN(CCC#N)S(=O)(=O)N1CCC(CC1)N(C)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations