Geometry & MOs

Info

ID:

191545

PubChem CID:

78162324

Reduced:

NF3O3H28C31 (1)

Stoich.:

AB3C3D28E31 (1)

Weight, g/mol:

584.99081

ΔHf, kcal/mol:

-204.78

Dipole, Da:

5.75

IP(EA), eV:

 -8.94(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-3-methyl-2-methylsulfanyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NCC3CC(C4=CC=CC=C4O3)C5=CC(=C(C=C5)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations