Geometry & MOs

Info

ID:

224476

PubChem CID:

85343687

Reduced:

SiO8C34H46 (1)

Stoich.:

AB8C34D46 (1)

Weight, g/mol:

612.330242

ΔHf, kcal/mol:

-334.87

Dipole, Da:

6.38

IP(EA), eV:

 -8.72(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[tert-butyl(dimethyl)silyl]oxy-5-[3-[2-methoxy-6-[1-methoxy-3-[(2-methylpropan-2-yl)oxy]prop-2-ynyl]phenyl]prop-1-ynyl-dimethylsilyl]oxycyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)(COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)OC)O)O

DOS

IR

Vibrations