Geometry & MOs

Info

ID:	121630
PubChem CID:	50775220
Reduced:	SO3N5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	509.206304
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	7.63
IP(EA), eV:	-9.19(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-(2-methylpropyl)-1,5-dioxo-2-phenacyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NN=C4SCC(=O)C5=CC=CC=C5

DOS

IR

Vibrations