Geometry & MOs

Info

ID:	406495
PubChem CID:	135077815
Reduced:	Na2O5H10C11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	-270.8
Dipole, Da:	17.06
IP(EA), eV:	-8.58(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-2-methyl-1H-indole

Drug info:

PubChemData

Smile

C=C(CC1(C=CC(C=C1)O)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations