Geometry & MOs

Info

ID:	157099
PubChem CID:	56422125
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	17.87
Dipole, Da:	6.05
IP(EA), eV:	-9.12(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)N)SC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CC=NC=C3

DOS

IR

Vibrations