Geometry & MOs

Info

ID:

81468

PubChem CID:

49854761

Reduced:

N2O4F6C27H28 (1)

Stoich.:

A2B4C6D27E28 (1)

Weight, g/mol:

546.195326

ΔHf, kcal/mol:

-476.96

Dipole, Da:

2.3

IP(EA), eV:

 -9.34(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2,6,7-trimethyl-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=C1C3=C(CCC3)C=C2)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)OC)C

DOS

IR

Vibrations