Geometry & MOs

Info

ID:	396170
PubChem CID:	135027566
Reduced:	BrC3H7 (1)
Stoich.:	AB3C7 (1)
Weight, g/mol:	402.049271
ΔH_f, kcal/mol:	-21.88
Dipole, Da:	2.62
IP(EA), eV:	-10.37(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-chloro-6-[(S)-(4-methylphenyl)sulfinyl]phenyl]-3-fluorophenyl] acetate

Drug info:

PubChemData

Smile

[13CH3]C([13CH3])Br

DOS

IR

Vibrations