Geometry & MOs

Info

ID:	23417
PubChem CID:	603445
Reduced:	N2S2O7H10C13 (1)
Stoich.:	A2B2C7D10E13 (1)
Weight, g/mol:	369.992943
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	3.52
IP(EA), eV:	-9.43(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylphenyl)sulfinyl-2,4-dinitrobenzene

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations