Geometry & MOs

Info

ID:	230649
PubChem CID:	87571559
Reduced:	BrClSO2N4H12C18 (1)
Stoich.:	ABCD2E4F12G18 (1)
Weight, g/mol:	268.05879
ΔH_f, kcal/mol:	39.03
Dipole, Da:	6.47
IP(EA), eV:	-8.83(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(7R)-1-chloro-7-nitrooxyoctyl] carbonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=CN=C4N3C=C(C=C4)Br)Cl

DOS

IR

Vibrations