Geometry & MOs

Info

ID:	121638
PubChem CID:	50775696
Reduced:	O4N6C27H30 (1)
Stoich.:	A4B6C27D30 (1)
Weight, g/mol:	466.176481
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	4.1
IP(EA), eV:	-9.47(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C(=O)N2C3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N(C2=N1)CC5=CC=CC=C5

DOS

IR

Vibrations