Geometry & MOs

Info

ID:	447502
PubChem CID:	135283392
Reduced:	BrClS2N3O6H25C34 (1)
Stoich.:	ABC2D3E6F25G34 (1)
Weight, g/mol:	359.88719
ΔH_f, kcal/mol:	-36.88
Dipole, Da:	4.74
IP(EA), eV:	-9.14(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diiodo-2,5-dimethylcyclohexa-1,3-diene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(=O)C(C(=O)N2N3C(C(=O)C(C3=O)SC4=C(C=CC(=C4)Br)Cl)CC5=CC=CC=C5)SC6=CC=CC=C6[N+](=O)[O-]

DOS

IR

Vibrations