Geometry & MOs

Info

ID:

121604

PubChem CID:

50774856

Reduced:

ClO4N6H23C24 (1)

Stoich.:

AB4C6D23E24 (1)

Weight, g/mol:

508.223432

ΔHf, kcal/mol:

-74.05

Dipole, Da:

5.44

IP(EA), eV:

 -9.0(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-butan-2-yl-2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,5-dioxo-4-propan-2-yl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C3=NN(C(=O)N23)CC(=O)NC4=CC=C(C=C4)Cl)CC=C

DOS

IR

Vibrations