Geometry & MOs

Info

ID:	139724
PubChem CID:	52585166
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	435.135173
ΔH_f, kcal/mol:	-56.51
Dipole, Da:	2.52
IP(EA), eV:	-9.55(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl) 1-(5-ethoxycarbonylfuran-2-yl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)C2=CC3=CC=CC=C3C(=N2)Cl

DOS

IR

Vibrations