Geometry & MOs

Info

ID:	38309
PubChem CID:	8029879
Reduced:	FNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	336.104482
ΔH_f, kcal/mol:	-118.25
Dipole, Da:	4.49
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=O)C2=CC=CC=C2O1)CC3=CC=C(C=C3)F

DOS

IR

Vibrations