Geometry & MOs

Info

ID:	359162
PubChem CID:	127297579
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-164.63
Dipole, Da:	6.69
IP(EA), eV:	-8.93(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclohexylsulfonylpiperazin-1-yl)-2-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3CCCCC3)OC

DOS

IR

Vibrations