Geometry & MOs

Info

ID:

65964

PubChem CID:

46484762

Reduced:

FSN4O5C21H23 (1)

Stoich.:

ABC4D5E21F23 (1)

Weight, g/mol:

484.147073

ΔHf, kcal/mol:

-104.1

Dipole, Da:

6.98

IP(EA), eV:

 -9.44(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4,7-dimethyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1COC4=C(C=C(C=C4)[N+](=O)[O-])F

DOS

IR

Vibrations