Geometry & MOs

Info

ID:	384400
PubChem CID:	134976916
Reduced:	BrOPSH22C26 (1)
Stoich.:	ABCDE22F26 (1)
Weight, g/mol:	426.138482
ΔH_f, kcal/mol:	49.43
Dipole, Da:	6.35
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxoethyl(triphenyl)-lambda5-phosphanyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(CC(=O)SC2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br

DOS

IR

Vibrations