Geometry & MOs

Info

ID:	274151
PubChem CID:	103807361
Reduced:	SBr2N2O3H10C13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	421.98942
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	3.13
IP(EA), eV:	-8.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(5-chloro-2-iodobenzoyl)piperazine-2-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)NC(=O)C3=C(SC(=C3)Br)Br)N

DOS

IR

Vibrations