Geometry & MOs

Info

ID:	122424
PubChem CID:	50806000
Reduced:	ON4H24C25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	433.157246
ΔH_f, kcal/mol:	58.69
Dipole, Da:	4.42
IP(EA), eV:	-8.44(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[(8-oxo-7-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)sulfanyl]butanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)N2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35

DOS

IR

Vibrations