Geometry & MOs

Info

ID:	374480
PubChem CID:	131330173
Reduced:	BrOSF2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	247.97965
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	3.66
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-1,3-dimethyl-2-oxoimidazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=CS2)CO)C(=C1CBr)C(F)F

DOS

IR

Vibrations