Geometry & MOs

Info

ID:

127948

PubChem CID:

51024315

Reduced:

SN2O6C20H28 (1)

Stoich.:

AB2C6D20E28 (1)

Weight, g/mol:

1309.41514

ΔHf, kcal/mol:

-231.56

Dipole, Da:

6.86

IP(EA), eV:

 -8.92(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S,5S,6R,8S,10S,11R,13S,15S,16R,18S,20S,21R,23S,25S,26R,28S,30S,31R,33S,35S,36S,37S,38S,39S,40S,41S,42S,43S,44S,45S,46S,47R,48S,49S)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations