Geometry & MOs

Info

ID:	384677
PubChem CID:	134977446
Reduced:	BrOPC29H30 (1)
Stoich.:	ABCD29E30 (1)
Weight, g/mol:	348.13466
ΔH_f, kcal/mol:	31.83
Dipole, Da:	6.87
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tributylphosphaniumyl-1,3-dithiole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](COCC1=CC=CC=C1)CP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations