Geometry & MOs

Info

ID:	128453
PubChem CID:	51044768
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	322.013616
ΔH_f, kcal/mol:	-157.5
Dipole, Da:	4.12
IP(EA), eV:	-8.53(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CC[C@@H]3C(=O)NC4=CC=CC=C4C(=O)N3)OC1

DOS

IR

Vibrations