Geometry & MOs

Info

ID:	156901
PubChem CID:	56394850
Reduced:	SN2O4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	436.145678
ΔH_f, kcal/mol:	-109.51
Dipole, Da:	8.66
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-indol-3-yl)piperidin-1-yl]-[3-(methylsulfonylmethyl)-1-benzofuran-2-yl]methanone

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3CN4CCCCC4

DOS

IR

Vibrations