Geometry & MOs

Info

ID:

127729

PubChem CID:

51012851

Reduced:

SiN2O4C21H37 (1)

Stoich.:

AB2C4D21E37 (1)

Weight, g/mol:

421.11562

ΔHf, kcal/mol:

-218.45

Dipole, Da:

2.05

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.981790

Charge, e:

0

Chem-info

IUPAC name:

(1'S,3'R,4'R,5R)-3'-(2,3-dihydro-1-benzofuran-2-ylmethylselanyl)-1',7',7'-trimethylspiro[1,3-oxazolidine-5,2'-bicyclo[2.2.1]heptane]-2-one

Drug info:

PubChemData

Smile

CC1=C[N+]2=C(N=C1OC(C)C)O[C@H]3C[C@@H]2O[C@H]3CO[Si](C)(C)C(C)(C)C(C)C

DOS

IR

Vibrations