Geometry & MOs

Info

ID:	139745
PubChem CID:	52588056
Reduced:	NO3C22H35 (1)
Stoich.:	AB3C22D35 (1)
Weight, g/mol:	396.107455
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	5.99
IP(EA), eV:	-8.53(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-fluoro-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CCOCC(C)C

DOS

IR

Vibrations