Geometry & MOs

Info

ID:	388072
PubChem CID:	134988057
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	238.02046
ΔH_f, kcal/mol:	42.26
Dipole, Da:	6.18
IP(EA), eV:	-8.77(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-bromo-3-hydroxy-2,3-dimethylhexanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=S)N(N2)CCO

DOS

IR

Vibrations