Geometry & MOs

Info

ID:

317833

PubChem CID:

126646283

Reduced:

SN2F3O3C26H35 (1)

Stoich.:

AB2C3D3E26F35 (1)

Weight, g/mol:

422.1278

ΔHf, kcal/mol:

-259.3

Dipole, Da:

9.26

IP(EA), eV:

 -9.16(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(3S,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(CN(CCCOC1CCCN(C1)S(=O)(=O)C)CC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations