Geometry & MOs

Info

ID:	243061
PubChem CID:	99215337
Reduced:	FSO2N4C19H29 (1)
Stoich.:	ABC2D4E19F29 (1)
Weight, g/mol:	488.16489
ΔH_f, kcal/mol:	-86.56
Dipole, Da:	2.33
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenoxy)methyl]-2-[[4-(2-ethoxyphenoxy)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)N(C)CCCC1=NN(C(=C1)C2=CC(=CC=C2)F)C

DOS

IR

Vibrations