Geometry & MOs

Info

ID:

149971

PubChem CID:

53789654

Reduced:

SN2F4O5H22C27 (1)

Stoich.:

AB2C4D5E22F27 (1)

Weight, g/mol:

562.118556

ΔHf, kcal/mol:

-307.38

Dipole, Da:

2.62

IP(EA), eV:

 -8.68(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,1-trifluoro-N-[3-[[6-[(4-fluoroquinolin-2-yl)methoxy]-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4C(=C3)F)O)CC5=CC(=CC=C5)NS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations