Geometry & MOs

Info

ID:	50713
PubChem CID:	12013294
Reduced:	NSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	471.019492
ΔH_f, kcal/mol:	-65.96
Dipole, Da:	7.73
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfinyl)-1-(2,4-dinitrophenyl)sulfonylindole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(CCCC3)C4=C2C=CC(=C4)C=O

DOS

IR

Vibrations