Geometry & MOs

Info

ID:	329414
PubChem CID:	126736467
Reduced:	PO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	586.190911
ΔH_f, kcal/mol:	-114.51
Dipole, Da:	4.97
IP(EA), eV:	-8.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-(4-ethylphenyl)phenyl]methoxy]-2-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C(C1)P2(=O)C3=CC=CC=C3C4=CC=CC=C4O2)OC

DOS

IR

Vibrations