Geometry & MOs

Info

ID:	443670
PubChem CID:	135259729
Reduced:	SO2N7C11H11 (1)
Stoich.:	AB2C7D11E11 (1)
Weight, g/mol:	344.077948
ΔH_f, kcal/mol:	53.59
Dipole, Da:	5.84
IP(EA), eV:	-9.23(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methylsulfanyl]-2H-triazolo[4,5-d]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)CSC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations