Geometry & MOs

Info

ID:	146363
PubChem CID:	53676500
Reduced:	O2F3N3H4C9 (2)
Stoich.:	A2B3C3D4E9 (2)
Weight, g/mol:	312.133006
ΔH_f, kcal/mol:	-191.15
Dipole, Da:	6.44
IP(EA), eV:	-10.0(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(6-butoxy-3-tert-butyl-2H-1,3-benzothiazol-2-yl)thiohydroxylamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=C(C(=N2)NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C#N)C(F)(F)F

DOS

IR

Vibrations