Geometry & MOs

Info

ID:	389942
PubChem CID:	134996147
Reduced:	ClSO2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	246.06193
ΔH_f, kcal/mol:	-59.79
Dipole, Da:	5.7
IP(EA), eV:	-9.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-butylhept-2-enal

Drug info:

PubChemData

Smile

CC(=C)/C(=C(/C=C)\S(=O)(=O)C)/Cl

DOS

IR

Vibrations