Geometry & MOs

Info

ID:

320669

PubChem CID:

126662433

Reduced:

ClNSF4O6H24C27 (1)

Stoich.:

ABCD4E6F24G27 (1)

Weight, g/mol:

652.124642

ΔHf, kcal/mol:

-401.19

Dipole, Da:

4.13

IP(EA), eV:

 -8.78(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)O)O[C@@H]1CC2=C(C=C(C=C2)OCC3=C(C=CC=C3Cl)F)N(C1)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations