Geometry & MOs

Info

ID:

127502

PubChem CID:

51004419

Reduced:

SiO2C16H28 (1)

Stoich.:

AB2C16D28 (1)

Weight, g/mol:

753.98722

ΔHf, kcal/mol:

-132.88

Dipole, Da:

1.06

IP(EA), eV:

 -9.79(1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R,4S,6S,7R,11S,12R,13R,16S,18S,19S,22S)-19-(4-bromobenzoyl)oxy-11,22-dimethyl-3,15-dioxo-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-dien-7-yl] 4-bromobenzoate

Drug info:

PubChemData

Smile

C[Si](C)(C)O[C@@]1([C@H]2CC[C@@H]1[C@](C2)(CC=C)O)CC=C

DOS

IR

Vibrations