Geometry & MOs

Info

ID:	263589
PubChem CID:	103380206
Reduced:	SO2N5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	302.061966
ΔH_f, kcal/mol:	-21.74
Dipole, Da:	5.75
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-5-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CN1C=CN=C1CNC2=C(C(=NS2)N)C(=O)OC

DOS

IR

Vibrations