Geometry & MOs

Info

ID:

59208

PubChem CID:

24775746

Reduced:

NCl2O3F7H20C26 (1)

Stoich.:

AB2C3D7E20F26 (1)

Weight, g/mol:

597.136175

ΔHf, kcal/mol:

-429.65

Dipole, Da:

0.83

IP(EA), eV:

 -9.29(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1,1,1-trifluoro-3-[(2S)-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinolin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=C2OC3=C(C(=CC=C3)Cl)Cl)N(C1C4=CC(=CC=C4)OC(C(F)F)(F)F)CC(C(F)(F)F)O

DOS

IR

Vibrations