Geometry & MOs

Info

ID:

404658

PubChem CID:

135068757

Reduced:

NO5C25H28 (2)

Stoich.:

AB5C25D28 (2)

Weight, g/mol:

502.271924

ΔHf, kcal/mol:

-327.9

Dipole, Da:

4.0

IP(EA), eV:

 -9.21(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aR,9aR)-1,1,4a-trimethyl-6-(phenylmethoxymethoxy)-7-(phenylmethoxymethyl)-3,4,9,9a-tetrahydro-2H-xanthen-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations