Geometry & MOs

Info

ID:	310767
PubChem CID:	126587298
Reduced:	SF3O4H7C12 (1)
Stoich.:	AB3C4D7E12 (1)
Weight, g/mol:	366.110338
ΔH_f, kcal/mol:	-270.01
Dipole, Da:	2.42
IP(EA), eV:	-10.18(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-[(1E,4Z,6E)-5-hydroxy-7-(3-hydroxy-4-methoxyphenyl)-3-oxohepta-1,4,6-trienyl]benzaldehyde

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)C=C1C(=O)O

DOS

IR

Vibrations