Geometry & MOs

Info

ID:	283303
PubChem CID:	103972878
Reduced:	BrSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	290.172939
ΔH_f, kcal/mol:	-175.17
Dipole, Da:	2.4
IP(EA), eV:	-9.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-(2-hydroxyethoxy)ethyl]-2-propylpropanedioate

Drug info:

PubChemData

Smile

CCCC(CC1=C(C=CS1)Br)(C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations