Geometry & MOs

Info

ID:

81466

PubChem CID:

49854759

Reduced:

N2O5C12H14 (2)

Stoich.:

A2B5C12D14 (2)

Weight, g/mol:

552.125054

ΔHf, kcal/mol:

-226.06

Dipole, Da:

7.77

IP(EA), eV:

 -8.55(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H](C[C@@H](C2=CC(=C(C=C21)OC)OC)N(CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C

DOS

IR

Vibrations