Geometry & MOs

Info

ID:	155323
PubChem CID:	56352910
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	412.183207
ΔH_f, kcal/mol:	-161.91
Dipole, Da:	9.14
IP(EA), eV:	-8.84(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfonyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=CC=C1C(=O)N2CCC(CC2)CCN3CCOCC3

DOS

IR

Vibrations