Geometry & MOs

Info

ID:	121460
PubChem CID:	50768817
Reduced:	SO3N5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	435.154269
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	5.76
IP(EA), eV:	-8.49(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[4-(2-methylpropyl)-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations