Geometry & MOs

Info

ID:	385584
PubChem CID:	134979482
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	376.01326
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	2.95
IP(EA), eV:	-9.79(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(E)-3-[(E)-3-phenylprop-1-enyl]sulfonylprop-2-enyl]benzene

Drug info:

PubChemData

Smile

CCCCC/C=C/C(C(C)(C)C)OCOC

DOS

IR

Vibrations