Geometry & MOs

Info

ID:	84833
PubChem CID:	49870248
Reduced:	SO2H7N7C9 (1)
Stoich.:	AB2C7D7E9 (1)
Weight, g/mol:	317.01535
ΔH_f, kcal/mol:	51.67
Dipole, Da:	6.25
IP(EA), eV:	-9.48(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)N2C=NC(=C2N=N1)C3=NC(=CS3)C(=O)N

DOS

IR

Vibrations