Geometry & MOs

Info

ID:

393010

PubChem CID:

135018905

Reduced:

N3O6C21H29 (1)

Stoich.:

A3B6C21D29 (1)

Weight, g/mol:

508.249245

ΔHf, kcal/mol:

-186.53

Dipole, Da:

5.88

IP(EA), eV:

 -9.43(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(2R,3aR,7R,7aR)-6-acetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)[C@]1([C@H]2[C@@H]([C@H](O1)COCC3=CC=CC=C3)OC(O2)(C)C)N=[N+]=[N-]

DOS

IR

Vibrations