Geometry & MOs

Info

ID:	414120
PubChem CID:	135087074
Reduced:	PF3O4H18C23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	316.086446
ΔH_f, kcal/mol:	-281.06
Dipole, Da:	4.55
IP(EA), eV:	-9.89(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-diphenylphosphoryloxybut-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=CC=C(C=C1)C(F)(F)F)\OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations