Geometry & MOs

Info

ID:	45649
PubChem CID:	10516044
Reduced:	SO2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	-4.54
Dipole, Da:	5.57
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(3-methylbut-3-enyl)-2-prop-2-enylpropanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=CC(=O)O2)SC3=CC=CC=C3

DOS

IR

Vibrations