Geometry & MOs

Info

ID:	52601
PubChem CID:	12015538
Reduced:	PSO3C31H37 (1)
Stoich.:	ABC3D31E37 (1)
Weight, g/mol:	568.16455
ΔH_f, kcal/mol:	-176.51
Dipole, Da:	7.03
IP(EA), eV:	-8.84(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-2-(2,10-ditert-butyl-6-selanylidene-[1,2]benzoxaphospholo[2,3-b][1,2]benzoxaphosphol-11b-yl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)O)C23C4=C(C=CC(=C4)C(C)(C)C)OP2(=S)OC5=C3C=C(C=C5)C(C)(C)C

DOS

IR

Vibrations