Geometry & MOs

Info

ID:	83372
PubChem CID:	49857507
Reduced:	SiO2C23H44 (1)
Stoich.:	AB2C23D44 (1)
Weight, g/mol:	744.572826
ΔH_f, kcal/mol:	-216.0
Dipole, Da:	3.52
IP(EA), eV:	-8.74(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,6R)-6-[(1R,3aS,4E,7aR)-4-[2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]heptan-2-yl]oxy-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

C[C@@H](CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)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

C[C@@H](CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):