Geometry & MOs

Info

ID:

46481

PubChem CID:

10524632

Reduced:

NSSiO7C15H27 (1)

Stoich.:

ABCD7E15F27 (1)

Weight, g/mol:

393.233535

ΔHf, kcal/mol:

-357.35

Dipole, Da:

5.1

IP(EA), eV:

 -10.14(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,4S,6R,7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-4-phenyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-6-yl]methanol

Drug info:

PubChemData

Smile

C[C@H]([C@H]1[C@@H]2[C@H]([C@@H](CC(=O)C2C(=O)N1S(=O)(=O)CC[Si](C)(C)C)O)O)O

DOS

IR

Vibrations