Geometry & MOs

Info

ID:	375383
PubChem CID:	131500151
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-91.95
Dipole, Da:	3.42
IP(EA), eV:	-8.8(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-1-amino-3,3-dimethylbutyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1C=CC=C2O)CBr

DOS

IR

Vibrations