Geometry & MOs

Info

ID:	404179
PubChem CID:	135065363
Reduced:	PO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	394.133396
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	3.41
IP(EA), eV:	-9.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-diphenylphosphoryloxy-3-(4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1)OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations