Geometry & MOs

Info

ID:

341778

PubChem CID:

127264471

Reduced:

SiO5C34H46 (1)

Stoich.:

AB5C34D46 (1)

Weight, g/mol:

356.17148

ΔHf, kcal/mol:

-261.71

Dipole, Da:

3.94

IP(EA), eV:

 -8.87(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,5-dimethylhexan-2-ol

Drug info:

PubChemData

Smile

CCCCC[C@@H](/C=C/[C@@H]1[C@H](C[C@@H]2[C@H]1CC(=O)O2)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations