Geometry & MOs

Info

ID:	245462
PubChem CID:	99445072
Reduced:	FN2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	467.131506
ΔH_f, kcal/mol:	-104.1
Dipole, Da:	5.34
IP(EA), eV:	-9.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)sulfonyl-N-(2-fluorophenyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC=CC=C2[C@@H]1CC(=O)N(CC3=CC=CO3)C4=CC=CC=C4F

DOS

IR

Vibrations