Geometry & MOs

Info

ID:	381709
PubChem CID:	134972517
Reduced:	ClN2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	389.108565
ΔH_f, kcal/mol:	65.51
Dipole, Da:	5.78
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylphenyl)sulfonylindol-2-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

C1C2=C(C(=CC=C2)Cl)C3=NC=CN31

DOS

IR

Vibrations