Geometry & MOs

Info

ID:	61699
PubChem CID:	26711910
Reduced:	NCl2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-110.85
Dipole, Da:	1.71
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations