Geometry & MOs

Info

ID:	38113
PubChem CID:	8027135
Reduced:	SO2N4C8H10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	315.02051
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	5.27
IP(EA), eV:	-9.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethylazanium

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations