Geometry & MOs

Info

ID:	172377
PubChem CID:	75500649
Reduced:	BrClNO3C11H13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	333.01726
ΔH_f, kcal/mol:	-110.79
Dipole, Da:	1.63
IP(EA), eV:	-9.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-fluorophenyl)methylsulfinylmethyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)Cl)C(=O)NCCOCCO

DOS

IR

Vibrations