Geometry & MOs

Info

ID:	61285
PubChem CID:	26707971
Reduced:	FS2N3O3C22H22 (1)
Stoich.:	AB2C3D3E22F22 (1)
Weight, g/mol:	460.122356
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	6.17
IP(EA), eV:	-8.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-methyl-5-propan-2-ylphenyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations