Geometry & MOs

Info

ID:	397433
PubChem CID:	135030211
Reduced:	ISN2O2H15C22 (1)
Stoich.:	ABC2D2E15F22 (1)
Weight, g/mol:	498.01103
ΔH_f, kcal/mol:	55.32
Dipole, Da:	6.83
IP(EA), eV:	-8.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-iodo-1-(4-methylphenyl)sulfonyl-6-nitroindole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C#N)C(=C2C4=CC=CC=C4)I

DOS

IR

Vibrations