Geometry & MOs

Info

ID:	371811
PubChem CID:	131272079
Reduced:	NSO2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	311.90502
ΔH_f, kcal/mol:	-71.87
Dipole, Da:	2.13
IP(EA), eV:	-9.17(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-3-hydroxy-6-iodobenzoate

Drug info:

PubChemData

Smile

C1CSCC([C@@H]1CC(=O)O)C#N

DOS

IR

Vibrations