Geometry & MOs

Info

ID:	24160
PubChem CID:	608109
Reduced:	OS2N4C6H6 (1)
Stoich.:	AB2C4D6E6 (1)
Weight, g/mol:	213.998303
ΔH_f, kcal/mol:	35.4
Dipole, Da:	3.72
IP(EA), eV:	-9.31(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one

Drug info:

PubChemData

Smile

CC1=NN2C(=NC(=NC2=O)SC)S1

DOS

IR

Vibrations