Geometry & MOs

Info

ID:

410250

PubChem CID:

135083041

Reduced:

N2O5C12H18 (1)

Stoich.:

A2B5C12D18 (1)

Weight, g/mol:

531.261206

ΔHf, kcal/mol:

-132.78

Dipole, Da:

3.59

IP(EA), eV:

 -10.25(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,4S,6S,7S,7aR)-6-[(2S,4R,5R,6S)-5-azido-6-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-4-prop-2-enoxyoxan-3-yl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4,7-diol

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H](C4(O2)N=N4)OC(O3)(C)C)C

DOS

IR

Vibrations