Geometry & MOs

Info

ID:

47349

PubChem CID:

10531727

Reduced:

S2N4O10C23H48 (1)

Stoich.:

A2B4C10D23E48 (1)

Weight, g/mol:

606.198227

ΔHf, kcal/mol:

-497.21

Dipole, Da:

4.72

IP(EA), eV:

 -8.6(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1R,2S,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methylsulfanyl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C(CCCCNC(=S)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCCNC(=S)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

DOS

IR

Vibrations