Geometry & MOs

Info

ID:	437788
PubChem CID:	135227073
Reduced:	BrClFOSH7C9 (1)
Stoich.:	ABCDEF7G9 (1)
Weight, g/mol:	265.095023
ΔH_f, kcal/mol:	-28.86
Dipole, Da:	1.6
IP(EA), eV:	-9.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-cyano-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C1CC1(S(=O)C2=CC(=C(C=C2)F)Br)Cl

DOS

IR

Vibrations