Geometry & MOs

Info

ID:

47243

PubChem CID:

10530858

Reduced:

NO6C13H13 (2)

Stoich.:

AB6C13D13 (2)

Weight, g/mol:

558.316536

ΔHf, kcal/mol:

-408.22

Dipole, Da:

6.65

IP(EA), eV:

 -9.24(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R,5R,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexen-1-yl]methoxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)ONC2=CC3=NC4=CC=CC=C4OC3=CC2=O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations