Geometry & MOs

Info

ID:

45190

PubChem CID:

10509005

Reduced:

NOPH29C33 (1)

Stoich.:

ABCD29E33 (1)

Weight, g/mol:

710.494167

ΔHf, kcal/mol:

84.35

Dipole, Da:

6.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.947044

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4E,8E,12E,16E)-18-[3,4-dimethyl-5-(oxan-2-yloxy)-2-(2-trimethylsilylethoxymethoxy)phenyl]-4,8,12,16-tetramethyloctadeca-4,8,12,16-tetraenoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations