Geometry & MOs

Info

ID:	184061
PubChem CID:	77105005
Reduced:	OSCl2F3N5H10C15 (1)
Stoich.:	ABC2D3E5F10G15 (1)
Weight, g/mol:	434.993521
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	6.67
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations