Geometry & MOs

Info

ID:	141607
PubChem CID:	52901355
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	380.066715
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	4.05
IP(EA), eV:	-8.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylpyrazol-3-yl)-3-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C=NN(C2=O)CC(=O)N3CCO[C@H](C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations