Geometry & MOs

Info

ID:	40284
PubChem CID:	8143871
Reduced:	ClOSN4C20H21 (1)
Stoich.:	ABCD4E20F21 (1)
Weight, g/mol:	372.122024
ΔH_f, kcal/mol:	52.71
Dipole, Da:	5.28
IP(EA), eV:	-8.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-bis(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C(=S)N2C3=CC=C(C=C3)Cl)CN4CCCC4

DOS

IR

Vibrations