Geometry & MOs

Info

ID:

219850

PubChem CID:

85164961

Reduced:

FSSiN4O5C29H44 (1)

Stoich.:

ABCD4E5F29G44 (1)

Weight, g/mol:

606.539865

ΔHf, kcal/mol:

-273.27

Dipole, Da:

10.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.849896

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[1-[4-[tert-butyl(dimethyl)silyl]oxyheptyl-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)boranyl]heptan-4-yloxy]-dimethylsilane

Drug info:

PubChemData

Smile

CCCN1C(=O)C2C(=NC(=[N+]2COCC[Si](C)(C)C)C3CCCCC3)N(C1=O)CCCC4=CC=C(C=C4)S(=O)(=O)F

DOS

IR

Vibrations