Geometry & MOs

Info

ID:	164457
PubChem CID:	74402273
Reduced:	NSO3F4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	212.104859
ΔH_f, kcal/mol:	-253.46
Dipole, Da:	4.24
IP(EA), eV:	-10.22(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)CCC(C#N)(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations