Geometry & MOs

Info

ID:	234456
PubChem CID:	92298469
Reduced:	ClSN2O2C16H19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	321.101034
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	4.92
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl)C

DOS

IR

Vibrations