Geometry & MOs

Info

ID:	374101
PubChem CID:	131323706
Reduced:	BrClNSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	277.01137
ΔH_f, kcal/mol:	54.39
Dipole, Da:	3.18
IP(EA), eV:	-9.05(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-amino-3-(4-bromo-3-fluorophenyl)-2-methylpropane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2Cl)CBr)CC#N

DOS

IR

Vibrations