Geometry & MOs

Info

ID:	296631
PubChem CID:	117586284
Reduced:	BrFSH4N4C7 (1)
Stoich.:	ABCD4E4F7 (1)
Weight, g/mol:	172.078268
ΔH_f, kcal/mol:	63.09
Dipole, Da:	5.57
IP(EA), eV:	-9.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-methylthiatriazol-5-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)NC2=NN=NS2)F

DOS

IR

Vibrations