Geometry & MOs

Info

ID:	184060
PubChem CID:	77105004
Reduced:	OSCl2N6H10C15 (1)
Stoich.:	ABC2D6E10F15 (1)
Weight, g/mol:	434.993521
ΔH_f, kcal/mol:	108.95
Dipole, Da:	9.22
IP(EA), eV:	-8.69(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[3,5-dichloro-4-[3-(trifluoromethyl)phenyl]sulfinylphenyl]-1H-1,2,4-triazole-3,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)S(=O)C2=C(C=C(C=C2Cl)NC3=NNC(=N3)N)Cl

DOS

IR

Vibrations