Geometry & MOs

Info

ID:	205075
PubChem CID:	80051987
Reduced:	NO2S2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	271.006992
ΔH_f, kcal/mol:	-9.15
Dipole, Da:	6.09
IP(EA), eV:	-9.19(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-1H-indol-3-yl)-2-methylsulfonylethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CSC3=CC=NC=C3

DOS

IR

Vibrations