Geometry & MOs

Info

ID:	60535
PubChem CID:	26697151
Reduced:	ClSN2F3O3C21H22 (1)
Stoich.:	ABC2D3E3F21G22 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-255.22
Dipole, Da:	8.39
IP(EA), eV:	-8.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-N-(4-ethylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations