Geometry & MOs

Info

ID:	305861
PubChem CID:	124971557
Reduced:	SO2N4C14H22 (1)
Stoich.:	AB2C4D14E22 (1)
Weight, g/mol:	489.209756
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	5.09
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-(4-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)N2CCC[C@@H]2C3=NC=CN=C3

DOS

IR

Vibrations