Geometry & MOs

Info

ID:	209019
PubChem CID:	80614408
Reduced:	SBr2O3N5H7C9 (1)
Stoich.:	AB2C3D5E7F9 (1)
Weight, g/mol:	270.089895
ΔH_f, kcal/mol:	67.66
Dipole, Da:	5.14
IP(EA), eV:	-9.69(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-dimethylpiperazine-2,6-dione

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)OCC2=NN=C(S2)NN)Br)[N+](=O)[O-]

DOS

IR

Vibrations