Geometry & MOs

Info

ID:

56823

PubChem CID:

22394225

Reduced:

N2O4F9C27H27 (1)

Stoich.:

A2B4C9D27E27 (1)

Weight, g/mol:

656.15689

ΔHf, kcal/mol:

-647.35

Dipole, Da:

5.28

IP(EA), eV:

 -9.65(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC(N(C3=C2C=C(C=C3)C(F)(F)F)C(=O)O)CC(C)C

DOS

IR

Vibrations