Geometry & MOs

Info

ID:	373281
PubChem CID:	131312651
Reduced:	ClSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	283.02079
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	3.35
IP(EA), eV:	-9.2(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(2R)-piperidin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C2C=CSC2=C1Cl)C=O

DOS

IR

Vibrations