Geometry & MOs

Info

ID:	340866
PubChem CID:	127263301
Reduced:	ClSO2N3C8H14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	353.87524
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	6.85
IP(EA), eV:	-9.74(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(bromomethyl)-5-iodobenzoate

Drug info:

PubChemData

Smile

CN(C1=C(C=CC=N1)CN)S(=O)(=O)C.Cl

DOS

IR

Vibrations