Geometry & MOs

Info

ID:	33978
PubChem CID:	7889105
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	342.040917
ΔH_f, kcal/mol:	-38.27
Dipole, Da:	4.05
IP(EA), eV:	-8.83(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations