Geometry & MOs

Info

ID:	228884
PubChem CID:	87566083
Reduced:	NO3F7H12C17 (1)
Stoich.:	AB3C7D12E17 (1)
Weight, g/mol:	222.056195
ΔH_f, kcal/mol:	-430.19
Dipole, Da:	2.67
IP(EA), eV:	-10.07(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-prop-2-enoyloxypentane-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CCC2=CN=C(C=C2)C(F)(F)F)OC(F)F)OC(F)F

DOS

IR

Vibrations