Geometry & MOs

Info

ID:	57783
PubChem CID:	24277311
Reduced:	SO2N4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	242.047361
ΔH_f, kcal/mol:	-13.12
Dipole, Da:	7.37
IP(EA), eV:	-9.15(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methoxymethyl)-6-methyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NN=C2N1N=C(CS2)CC(=O)O

DOS

IR

Vibrations