Geometry & MOs

Info

ID:	37917
PubChem CID:	8025547
Reduced:	SN2F3O3C18H22 (1)
Stoich.:	AB2C3D3E18F22 (1)
Weight, g/mol:	402.122498
ΔH_f, kcal/mol:	-228.39
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998315
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3

DOS

IR

Vibrations