Geometry & MOs

Info

ID:	26196
PubChem CID:	640804
Reduced:	BrClNO2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	279.050965
ΔH_f, kcal/mol:	-37.39
Dipole, Da:	6.15
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,6R,6aR)-4-chloro-2,2-dimethyl-4-nitroso-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methyl acetate

Drug info:

PubChemData

Smile

COCN1C2=CC=CC=C2C(=C1Cl)C(=O)CBr

DOS

IR

Vibrations