Geometry & MOs

Info

ID:

388962

PubChem CID:

134990763

Reduced:

S2N3O8H25C29 (1)

Stoich.:

A2B3C8D25E29 (1)

Weight, g/mol:

390.22178

ΔHf, kcal/mol:

-105.37

Dipole, Da:

6.5

IP(EA), eV:

 -9.11(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3aR,4R,5R,6aS)-2-hydroxy-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4,4-difluorooctan-3-one

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(N=C=C(C3=CSC=C3)C(=O)OC4=CC=CC=C4)OC)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C

DOS

IR

Vibrations