Geometry & MOs

Info

ID:

320652

PubChem CID:

126662392

Reduced:

ClSN2F4O4H29C31 (1)

Stoich.:

ABC2D4E4F29G31 (1)

Weight, g/mol:

562.114077

ΔHf, kcal/mol:

-311.12

Dipole, Da:

3.2

IP(EA), eV:

 -8.42(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2R)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-2H-quinolin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC2=C(C=C1)O[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)CCC(=O)N4CCCC4)/C5=C(C=CC=C5Cl)F

DOS

IR

Vibrations