Geometry & MOs

Info

ID:	129528
PubChem CID:	51072957
Reduced:	SN2O5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	345.137636
ΔH_f, kcal/mol:	-163.82
Dipole, Da:	7.11
IP(EA), eV:	-9.25(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-(2-fluorophenyl)furan-2-carbonyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations