Geometry & MOs

Info

ID:

81561

PubChem CID:

49854865

Reduced:

O2F5N6H15C19 (1)

Stoich.:

A2B5C6D15E19 (1)

Weight, g/mol:

586.151411

ΔHf, kcal/mol:

-247.08

Dipole, Da:

3.43

IP(EA), eV:

 -9.11(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)F)NC(=O)NC2=CC(=CC(=C2)CNC3=C(NN=C3)C(=O)N)F

DOS

IR

Vibrations