Geometry & MOs

Info

ID:

405582

PubChem CID:

135074535

Reduced:

BISi6O14C82H160 (1)

Stoich.:

ABC6D14E82F160 (1)

Weight, g/mol:

600.14568

ΔHf, kcal/mol:

-1099.14

Dipole, Da:

4.15

IP(EA), eV:

 -8.98(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dibromo-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-hex-1-en-2-yl-2-methylnon-4-ynyl]phenol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C/[C@@H](C)[C@@H](/C=C/C(=C/CC[C@@H]([C@H](C[C@@H]([C@H](C(=O)[C@H](C)C(=O)[C@H](C)[C@H]([C@@H](C)[C@@H](C[C@H](COC)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)OC(=O)/C(=C/C(=C/I)/C)/C)OC)O[Si](CC)(CC)CC)/C)O[Si](CC)(CC)CC)/C

DOS

IR

Vibrations