Geometry & MOs

Info

ID:

182077

PubChem CID:

76839098

Reduced:

O2N6F9C33H35 (1)

Stoich.:

A2B6C9D33E35 (1)

Weight, g/mol:

696.210657

ΔHf, kcal/mol:

-470.82

Dipole, Da:

10.37

IP(EA), eV:

 -9.25(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCC1CC(C2=C(N1C(=O)C3CCC(CC3)CC(=O)C)C=CC(=C2)C(F)(F)F)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C

DOS

IR

Vibrations