Geometry & MOs

Info

ID:	44279
PubChem CID:	10502397
Reduced:	FN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	423.126615
ΔH_f, kcal/mol:	-109.64
Dipole, Da:	8.84
IP(EA), eV:	-8.79(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-6-naphthalen-1-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)CC4=CC=C(C=C4)C

DOS

IR

Vibrations