Geometry & MOs

Info

ID:	197753
PubChem CID:	78991866
Reduced:	BrFSO4C12H12 (1)
Stoich.:	ABCD4E12F12 (1)
Weight, g/mol:	264.103145
ΔH_f, kcal/mol:	-197.58
Dipole, Da:	5.63
IP(EA), eV:	-9.89(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butoxyethyl)-1,1-dioxothiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1(CC2=C(C=CC(=C2)F)Br)C(=O)O

DOS

IR

Vibrations