Geometry & MOs

Info

ID:	46151
PubChem CID:	10522568
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	361.05388
ΔH_f, kcal/mol:	-144.51
Dipole, Da:	3.85
IP(EA), eV:	-8.98(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-iodo-1-nitrooctan-2-yl)benzene

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C)C(=O)Cl

DOS

IR

Vibrations