Geometry & MOs

Info

ID:	264190
PubChem CID:	103439847
Reduced:	BrClSO2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	230.082205
ΔH_f, kcal/mol:	-57.18
Dipole, Da:	4.79
IP(EA), eV:	-9.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-chloro-4-(3-methylimidazol-4-yl)butanoate

Drug info:

PubChemData

Smile

C1CC(=O)OC1C2=CC(=C(S2)Cl)Br

DOS

IR

Vibrations