Geometry & MOs

Info

ID:	141927
PubChem CID:	52953595
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	315.026487
ΔH_f, kcal/mol:	26.62
Dipole, Da:	2.81
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazolidine-3-thione

Drug info:

PubChemData

Smile

C=C1C2C(=CC(=O)N1CC3=CC=CC=C3)NN(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations