Geometry & MOs

Info

ID:	336848
PubChem CID:	127255855
Reduced:	NO2F3H4C6 (1)
Stoich.:	AB2C3D4E6 (1)
Weight, g/mol:	492.15201
ΔH_f, kcal/mol:	-161.48
Dipole, Da:	3.21
IP(EA), eV:	-9.63(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4,8-bis(2-ethylhexyl)thieno[2,3-f][1]benzothiole

Drug info:

PubChemData

Smile

C1=COC(=C1)/C(=N\O)/C(F)(F)F

DOS

IR

Vibrations