Geometry & MOs

Info

ID:	51775
PubChem CID:	12014513
Reduced:	PO6C32H33 (1)
Stoich.:	AB6C32D33 (1)
Weight, g/mol:	576.206561
ΔH_f, kcal/mol:	-202.51
Dipole, Da:	13.14
IP(EA), eV:	-8.2(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-3-benzoyl-2-methyl-4-triphenylphosphaniumylbut-3-en-2-yl]-2,2-dimethyl-6-oxo-1,3-dioxin-4-olate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C(C)(C)C4=C(OC(OC4=O)(C)C)[O-]

DOS

IR

Vibrations