Geometry & MOs

Info

ID:	341545
PubChem CID:	127264238
Reduced:	ClNSO3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	272.117966
ΔH_f, kcal/mol:	-148.78
Dipole, Da:	5.24
IP(EA), eV:	-9.7(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;[6-(aminomethyl)pyridin-3-yl]boronic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC(=O)C1=CC=CS1.Cl

DOS

IR

Vibrations