Geometry & MOs

Info

ID:	157196
PubChem CID:	56422383
Reduced:	ClSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	3.77
IP(EA), eV:	-9.47(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-oxo-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)N)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations