Geometry & MOs

Info

ID:	372919
PubChem CID:	131307065
Reduced:	NS2O3H9C10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	273.03644
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	2.69
IP(EA), eV:	-9.58(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2S)-1-amino-2-hydroxybutyl]-4-bromo-6-methylphenol

Drug info:

PubChemData

Smile

CSC1=C(C=CC=C1S(=O)(=O)C)C(=O)C#N

DOS

IR

Vibrations