Geometry & MOs

Info

ID:

182078

PubChem CID:

76839099

Reduced:

O4N6F9C29H29 (1)

Stoich.:

A4B6C9D29E29 (1)

Weight, g/mol:

710.226307

ΔHf, kcal/mol:

-546.48

Dipole, Da:

7.16

IP(EA), eV:

 -9.28(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CC(C2=C(N1C(=O)CCCC(=O)OC)C=CC(=C2)OC(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NN(N=N4)C

DOS

IR

Vibrations