Geometry & MOs

Info

ID:	245455
PubChem CID:	99444988
Reduced:	BrFNO2C22H23 (1)
Stoich.:	ABCD2E22F23 (1)
Weight, g/mol:	494.087862
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	2.0
IP(EA), eV:	-9.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)sulfonyl-N-(2-fluorophenyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)N(CC4=CC=CO4)C5=CC=CC=C5F

DOS

IR

Vibrations