Geometry & MOs

Info

ID:

320648

PubChem CID:

126662340

Reduced:

ClNSF2O5H24C25 (1)

Stoich.:

ABCD2E5F24G25 (1)

Weight, g/mol:

566.105404

ΔHf, kcal/mol:

-238.47

Dipole, Da:

5.66

IP(EA), eV:

 -8.59(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]acetamide

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)OCC4=C(C=CC=C4Cl)F)CO

DOS

IR

Vibrations