Geometry & MOs

Info

ID:

56825

PubChem CID:

22394235

Reduced:

N2O8C21H22 (1)

Stoich.:

A2B8C21D22 (1)

Weight, g/mol:

614.146325

ΔHf, kcal/mol:

-287.73

Dipole, Da:

5.64

IP(EA), eV:

 -8.81(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-2-cyclopropyl-6-methoxy-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(CC(N2C(=O)O)C(=O)O)NC(=O)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations