Geometry & MOs

Info

ID:	404837
PubChem CID:	135071386
Reduced:	BrO6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	404.202131
ΔH_f, kcal/mol:	-248.78
Dipole, Da:	2.5
IP(EA), eV:	-10.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-ethoxy-4-ethyl-6-methyl-6-(4-methylphenyl)sulfonylhept-4-enyl]furan

Drug info:

PubChemData

Smile

CCOC(=O)C(C(CCC=C)(C(=O)OC)C(=O)OC)Br

DOS

IR

Vibrations