Geometry & MOs

Info

ID:	248191
PubChem CID:	103079566
Reduced:	SO2N3C8H13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	212.019039
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	2.78
IP(EA), eV:	-8.29(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)SCCC(=O)OC)N

DOS

IR

Vibrations