Geometry & MOs

Info

ID:

383317

PubChem CID:

134974964

Reduced:

N3O6C13H21 (1)

Stoich.:

A3B6C13D21 (1)

Weight, g/mol:

331.108959

ΔHf, kcal/mol:

-214.64

Dipole, Da:

3.22

IP(EA), eV:

 -9.81(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'aR,5R,5'R,6'aR)-5'-(2,2-dimethyl-1,3-dioxolan-4-yl)-2',2'-dimethylspiro[1,3-oxazolidine-5,6'-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole]-2-thione

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@]([C@@H]3[C@H](O2)OC(O3)(C)C)(CN=[N+]=[N-])O)C

DOS

IR

Vibrations