Geometry & MOs

Info

ID:	384289
PubChem CID:	134976688
Reduced:	BrPSC27H52 (1)
Stoich.:	ABCD27E52 (1)
Weight, g/mol:	540.116959
ΔH_f, kcal/mol:	-114.5
Dipole, Da:	4.31
IP(EA), eV:	-8.58(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-methylsulfanylcyclohexyl)-triphenyl-lambda5-phosphanyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CSC(=C1)CP(CCCC)(CCCC)(CCCC)Br

DOS

IR

Vibrations