Geometry & MOs

Info

ID:	403045
PubChem CID:	135058508
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	419.93508
ΔH_f, kcal/mol:	56.37
Dipole, Da:	10.0
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(iodomethyl)-2-[(S)-(4-methylphenyl)sulfonylsulfinyl]benzene

Drug info:

PubChemData

Smile

CN1C=C(C=C1CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations