Geometry & MOs

Info

ID:	52293
PubChem CID:	12015115
Reduced:	BrClPH21C25 (1)
Stoich.:	ABCD21E25 (1)
Weight, g/mol:	206.022393
ΔH_f, kcal/mol:	71.4
Dipole, Da:	3.76
IP(EA), eV:	-8.75(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenylethynyl)-1,3-dithiolane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(CC2=CC=CC=C2Cl)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations