Geometry & MOs

Info

ID:	61297
PubChem CID:	26708043
Reduced:	ClN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	417.115855
ΔH_f, kcal/mol:	-43.47
Dipole, Da:	3.74
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[4-(cyanomethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)OCC#N

DOS

IR

Vibrations