Geometry & MOs

Info

ID:	406073
PubChem CID:	135076451
Reduced:	SCl3C22H37 (1)
Stoich.:	AB3C22D37 (1)
Weight, g/mol:	454.08634
ΔH_f, kcal/mol:	-36.74
Dipole, Da:	2.88
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3,4-dichlorobut-3-en-1-ynyl)sulfanylhexadecane

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCSC#CC(=C(Cl)Cl)Cl

DOS

IR

Vibrations