Geometry & MOs

Info

ID:	26276
PubChem CID:	643409
Reduced:	SC6H12 (1)
Stoich.:	AB6C12 (1)
Weight, g/mol:	222.052823
ΔH_f, kcal/mol:	-25.01
Dipole, Da:	2.33
IP(EA), eV:	-8.43(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-prop-2-enoxybenzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H]1CCCS1

DOS

IR

Vibrations