Geometry & MOs

Info

ID:

394273

PubChem CID:

135022667

Reduced:

NO15C27H39 (1)

Stoich.:

AB15C27D39 (1)

Weight, g/mol:

657.26327

ΔHf, kcal/mol:

-699.11

Dipole, Da:

7.47

IP(EA), eV:

 -10.11(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-cyclohexyl-3-oxopropyl) (2R,4R,5R)-5-acetamido-2,4-diacetyloxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(=O)CCOC(=O)[C@@]1(C[C@H]([C@H](C(O1)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations