Geometry & MOs

Info

ID:	308174
PubChem CID:	125317221
Reduced:	SN2O2F3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	356.153164
ΔH_f, kcal/mol:	-167.58
Dipole, Da:	6.06
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(2-methylpropyl)-4H-pyrazol-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=C2C=CC=CC2=NC1)OC3=CC=C(C=C3)SC(F)(F)F

DOS

IR

Vibrations