Geometry & MOs

Info

ID:	121600
PubChem CID:	50774545
Reduced:	SO3N6C24H30 (1)
Stoich.:	AB3C6D24E30 (1)
Weight, g/mol:	520.22566
ΔH_f, kcal/mol:	-69.82
Dipole, Da:	6.68
IP(EA), eV:	-9.0(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)-5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N4C1=NN=C4SCC(=O)NC5CCCCC5

DOS

IR

Vibrations