Geometry & MOs

Info

ID:	407000
PubChem CID:	135079093
Reduced:	SiO2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	542.22471
ΔH_f, kcal/mol:	-86.28
Dipole, Da:	1.12
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S,7S,8R)-7-(bromomethyl)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-7-methyl-6-oxabicyclo[3.2.1]oct-3-en-8-yl]methoxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC(C1=CC2=CC=CC=C2C=C1)C(=C)C[Si](C)(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)OC(C1=CC2=CC=CC=C2C=C1)C(=C)C[Si](C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):