Geometry & MOs

Info

ID:	151715
PubChem CID:	56269942
Reduced:	ClOSN3C21H22 (1)
Stoich.:	ABCD3E21F22 (1)
Weight, g/mol:	481.160219
ΔH_f, kcal/mol:	35.27
Dipole, Da:	5.91
IP(EA), eV:	-9.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations