Geometry & MOs

Info

ID:	397670
PubChem CID:	135030549
Reduced:	NS2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	393.085721
ΔH_f, kcal/mol:	-63.49
Dipole, Da:	3.75
IP(EA), eV:	-8.16(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfanyl-1-(4-methylphenyl)sulfonylindole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CN(C3=C2C=C(C=C3)OC)S(=O)(=O)C

DOS

IR

Vibrations