Geometry & MOs

Info

ID:	48485
PubChem CID:	10587349
Reduced:	BrO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	259.062677
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	2.02
IP(EA), eV:	-9.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-[1-(dimethylsulfamoyl)imidazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](COCC1=CC=CC=C1Br)OC

DOS

IR

Vibrations