Geometry & MOs

Info

ID:

320654

PubChem CID:

126662414

Reduced:

ClNSF2O4H22C25 (1)

Stoich.:

ABCD2E4F22G25 (1)

Weight, g/mol:

650.108992

ΔHf, kcal/mol:

-184.4

Dipole, Da:

3.08

IP(EA), eV:

 -8.77(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-2H-quinolin-3-yl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CC2=C(N1S(=O)(=O)C3=CC(=C(C=C3)F)OC)C=C(C=C2)/C=C/C4=C(C=CC=C4Cl)F)O

DOS

IR

Vibrations