Geometry & MOs

Info

ID:	397431
PubChem CID:	135030209
Reduced:	O3N6H12C13 (1)
Stoich.:	A3B6C12D13 (1)
Weight, g/mol:	487.0103
ΔH_f, kcal/mol:	-11.45
Dipole, Da:	7.72
IP(EA), eV:	-8.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-5-methyl-1-(4-methylphenyl)sulfonyl-2-phenylindole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C/3\C(=NNC3=O)N)/C(=C(O2)N)C(=O)NN

DOS

IR

Vibrations