Geometry & MOs

Info

ID:

305334

PubChem CID:

124768009

Reduced:

ClO3N6H31C34 (1)

Stoich.:

AB3C6D31E34 (1)

Weight, g/mol:

285.132471

ΔHf, kcal/mol:

59.77

Dipole, Da:

9.02

IP(EA), eV:

 -9.16(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,6S,8R,9S)-8-(azidomethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/2\CCC[C@@H]3C2=NN([C@@H]3C4=CC=C(C=C4)C)C(=O)CN5[C@H]6[C@@H](C(=O)N(C6=O)C7=CC=C(C=C7)Cl)N=N5

DOS

IR

Vibrations