Geometry & MOs

Info

ID:	54641
PubChem CID:	17389026
Reduced:	ClO2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	277.161269
ΔH_f, kcal/mol:	-24.26
Dipole, Da:	5.48
IP(EA), eV:	-9.93(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-5-(3-methylbutyl)-2-phenyl-1,2,4-triazolidine-3-thione

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NC2=CC(=NC=N2)Cl

DOS

IR

Vibrations