Geometry & MOs

Info

ID:	407448
PubChem CID:	135080152
Reduced:	BrOF3H8C11 (1)
Stoich.:	ABC3D8E11 (1)
Weight, g/mol:	220.068688
ΔH_f, kcal/mol:	-136.24
Dipole, Da:	5.77
IP(EA), eV:	-8.99(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethoxy-(2-methylbut-3-yn-2-yl)-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C=C(C(F)(F)F)Br

DOS

IR

Vibrations