Geometry & MOs

Info

ID:	382604
PubChem CID:	134973865
Reduced:	PO4C36H36 (1)
Stoich.:	AB4C36D36 (1)
Weight, g/mol:	562.227297
ΔH_f, kcal/mol:	-30.54
Dipole, Da:	12.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.909673
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2E,4E)-4-hydroxyhepta-2,4,6-trien-3-yl]oxy-3-phenyl-3-(triphenyl-lambda5-phosphanylidene)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations