Geometry & MOs

Info

ID:	121623
PubChem CID:	50775172
Reduced:	SO3N6C27H32 (1)
Stoich.:	AB3C6D27E32 (1)
Weight, g/mol:	487.25834
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	8.33
IP(EA), eV:	-8.68(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-(3-methylbutyl)-2-[(3-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)CC)N3C1=NN=C3SCC(=O)NC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations