Geometry & MOs

Info

ID:	122390
PubChem CID:	50804490
Reduced:	SN4O4C26H28 (1)
Stoich.:	AB4C4D26E28 (1)
Weight, g/mol:	419.141596
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	3.87
IP(EA), eV:	-8.01(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8-oxo-7-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC(=O)CSC2=CC(=NC3=C(C=NN23)C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations