Geometry & MOs

Info

ID:

392201

PubChem CID:

135013662

Reduced:

PSiO11C41H69 (1)

Stoich.:

ABC11D41E69 (1)

Weight, g/mol:

670.426481

ΔHf, kcal/mol:

-600.26

Dipole, Da:

3.87

IP(EA), eV:

 -8.87(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E,4E,6S)-6-[(2S,4E,6E,10R,11R,12E,18E)-10-hydroxy-4-methyl-14,20-dioxo-11-tri(propan-2-yl)silyloxy-1-oxacycloicosa-4,6,12,18-tetraen-2-yl]-4-methylhepta-2,4-dienoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C(=C/[C@H](C)[C@H](C/C(=C/C=C/CC[C@H]([C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C)O)/C)OC(=O)/C=C/CCCC(=O)CP(=O)(OC)OC)/C

DOS

IR

Vibrations