Geometry & MOs

Info

ID:	372148
PubChem CID:	131293806
Reduced:	FSO2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	273.03644
ΔH_f, kcal/mol:	-108.08
Dipole, Da:	5.57
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-amino-2-methylpropyl]-2-bromo-6-methoxyphenol

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1F)SC)OC

DOS

IR

Vibrations