Geometry & MOs

Info

ID:	168138
PubChem CID:	74928653
Reduced:	O2C7H7N7 (1)
Stoich.:	A2B7C7D7 (1)
Weight, g/mol:	288.064074
ΔH_f, kcal/mol:	39.68
Dipole, Da:	0.55
IP(EA), eV:	-9.65(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylsulfonylethyl)-4-oxo-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

Drug info:

PubChemData

Smile

C1=NC(=C2N1C(=O)N(NN2)CC#N)C(=O)N

DOS

IR

Vibrations