Geometry & MOs

Info

ID:	255111
PubChem CID:	103130049
Reduced:	BrSN4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	328.92321
ΔH_f, kcal/mol:	106.02
Dipole, Da:	5.13
IP(EA), eV:	-9.16(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC(=NS3)Br

DOS

IR

Vibrations