Geometry & MOs

Info

ID:	393277
PubChem CID:	135019923
Reduced:	SO6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	494.10691
ΔH_f, kcal/mol:	-236.67
Dipole, Da:	7.04
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,6Z)-3,7-bis-(4-methylphenyl)sulfonyloxyocta-2,6-dienoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C\CCC(=O)CC(=O)OC)/C

DOS

IR

Vibrations