Geometry & MOs

Info

ID:	140392
PubChem CID:	52690113
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	445.184684
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	3.75
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN(CCC)C(=O)CC1=CSC(=N1)CC2=CC=CC=C2

DOS

IR

Vibrations