Geometry & MOs

Info

ID:	284587
PubChem CID:	104054027
Reduced:	OSN2F3C8H11 (1)
Stoich.:	ABC2D3E8F11 (1)
Weight, g/mol:	357.97938
ΔH_f, kcal/mol:	-178.9
Dipole, Da:	3.43
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2-methoxy-3,6-dimethylphenyl)-chloromethyl]-4-methylthiophene

Drug info:

PubChemData

Smile

C1=C(SC(=N1)N)CCCOCC(F)(F)F

DOS

IR

Vibrations