Geometry & MOs

Info

ID:	371674
PubChem CID:	131270305
Reduced:	FSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	169.110279
ΔH_f, kcal/mol:	-119.17
Dipole, Da:	8.62
IP(EA), eV:	-9.01(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(2-methylbut-3-yn-2-ylamino)oxolan-3-ol

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2F)C=CC(=O)O)O

DOS

IR

Vibrations