Geometry & MOs

Info

ID:	61271
PubChem CID:	26707728
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-97.59
Dipole, Da:	9.72
IP(EA), eV:	-8.48(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations