Geometry & MOs

Info

ID:	55566
PubChem CID:	17395568
Reduced:	SN3O3C27H31 (1)
Stoich.:	AB3C3D27E31 (1)
Weight, g/mol:	330.09506
ΔH_f, kcal/mol:	-56.77
Dipole, Da:	7.39
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[2-(2-fluorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations