Geometry & MOs

Info

ID:	389895
PubChem CID:	134995804
Reduced:	NSC2O4F5 (1)
Stoich.:	ABC2D4E5 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-335.73
Dipole, Da:	2.64
IP(EA), eV:	-11.34(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-(3,3-dimethyloxiran-2-yl)but-2-en-2-yl] acetate

Drug info:

PubChemData

Smile

C(C(F)(F)F)(ON=O)(F)S(=O)(=O)F

DOS

IR

Vibrations