Geometry & MOs

Info

ID:

320653

PubChem CID:

126662396

Reduced:

ClSF2N2O5H25C27 (1)

Stoich.:

ABC2D2E5F25G27 (1)

Weight, g/mol:

505.092613

ΔHf, kcal/mol:

-229.64

Dipole, Da:

5.49

IP(EA), eV:

 -8.35(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R)-7-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1C(=CC2=C(N1S(=O)(=O)C3=CC(=C(C=C3)F)OC)C=C(C=C2)OCC4=C(C=CC=C4Cl)F)CNC(=O)C

DOS

IR

Vibrations