Geometry & MOs

Info

ID:	253556
PubChem CID:	103119208
Reduced:	BrSN2O2H9C14 (1)
Stoich.:	ABC2D2E9F14 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	32.19
Dipole, Da:	1.92
IP(EA), eV:	-9.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylthiophen-2-yl)-3-pyrazolo[1,5-a]pyrazin-3-ylpropane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C(=O)CC(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations