Geometry & MOs

Info

ID:	25722
PubChem CID:	629743
Reduced:	ClSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	324.95998
ΔH_f, kcal/mol:	88.85
Dipole, Da:	5.64
IP(EA), eV:	-8.91(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-2-nitrobenzene

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations