Geometry & MOs

Info

ID:	161285
PubChem CID:	57391252
Reduced:	FO4N5C19H20 (1)
Stoich.:	AB4C5D19E20 (1)
Weight, g/mol:	402.01499
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	6.2
IP(EA), eV:	-8.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-5-methoxyphenyl)-6-(4-methylphenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C[C@H]1COC2=C3N1C=C(C(=O)C3=C(C(=C2NCCCN4C=CN=C4)F)N)C(=O)O

DOS

IR

Vibrations