Geometry & MOs

Info

ID:	373895
PubChem CID:	131321092
Reduced:	ClNO2S2H4C9 (1)
Stoich.:	ABC2D2E4F9 (1)
Weight, g/mol:	257.018974
ΔH_f, kcal/mol:	-8.73
Dipole, Da:	3.53
IP(EA), eV:	-9.77(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-thiadiazol-3-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1S(=O)(=O)Cl)SC(=C2)C#N

DOS

IR

Vibrations