Geometry & MOs

Info

ID:

185024

PubChem CID:

77241624

Reduced:

ClFNOC14H18 (2)

Stoich.:

ABCDE14F18 (2)

Weight, g/mol:

588.150652

ΔHf, kcal/mol:

-218.63

Dipole, Da:

3.83

IP(EA), eV:

 -8.87(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3-chloro-2,6-difluorophenyl)-N-[1-[4-chloro-5-(4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-8-yl)-1H-imidazol-2-yl]-2-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CC(C1(C2=CC=C(C=C2)Cl)O)C)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C(C)(C)C.Cl

DOS

IR

Vibrations