Geometry & MOs

Info

ID:	60345
PubChem CID:	26683853
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	442.156243
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	8.62
IP(EA), eV:	-9.34(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-2-methoxyphenyl) 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=CC=C3C#N

DOS

IR

Vibrations