Geometry & MOs

Info

ID:	202641
PubChem CID:	79702698
Reduced:	BrNF3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	329.98377
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	4.42
IP(EA), eV:	-9.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-bromo-5-fluorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(CC2=CC(=CC(=C2)Br)F)N)F)F

DOS

IR

Vibrations