Geometry & MOs

Info

ID:	155594
PubChem CID:	56366152
Reduced:	SO4N6C23H28 (1)
Stoich.:	AB4C6D23E28 (1)
Weight, g/mol:	492.151907
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	8.04
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations