Geometry & MOs

Info

ID:

43525

PubChem CID:

10321422

Reduced:

F3O4N6C18H27 (1)

Stoich.:

A3B4C6D18E27 (1)

Weight, g/mol:

448.152203

ΔHf, kcal/mol:

-260.23

Dipole, Da:

6.96

IP(EA), eV:

 -9.43(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,3aR,7aS)-3-[(1R,2S)-2-hydroxy-2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]-1-phenylethoxy]-2-phenyl-2,3,3a,7a-tetrahydrofuro[3,2-b]pyran-5-one

Drug info:

PubChemData

Smile

CN(CCO)C1=NC(=NC(=C1)C(F)(F)F)NNC(=O)[C@H](CC2CCCC2)CN(C=O)O

DOS

IR

Vibrations