Geometry & MOs

Info

ID:

127576

PubChem CID:

51007010

Reduced:

OSC7H10 (1)

Stoich.:

ABC7D10 (1)

Weight, g/mol:

2116.468623

ΔHf, kcal/mol:

3.65

Dipole, Da:

4.61

IP(EA), eV:

-8.95(0.5)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,23S,25S,26S,28S,30S,31S,33S,35S,36R,37S,38S,39S,40R,41S,42R,43S,44R,45S,46R,47S,48R,49S)-37,39,41,43,45,47,49-heptamethoxy-5,10,15,20,25,30,35-heptakis(methoxymethyl)-36,38,40,42,44,46,48-heptaoctoxy-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

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1[C@H]3[C@H]2S3=O

DOS

IR

Vibrations