Geometry & MOs

Info

ID:	435429
PubChem CID:	135191449
Reduced:	FN4O4C27H37 (1)
Stoich.:	AB4C4D27E37 (1)
Weight, g/mol:	206.06128
ΔH_f, kcal/mol:	-223.96
Dipole, Da:	1.09
IP(EA), eV:	-8.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R)-3-hydroxy-2-(sulfanylmethyl)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC/C=C/1\C(=C/CF)\C(=C\C2=C(C(=C(N2)C)NC(=O)C3CCCN(C3)C(=O)OC(C)(C)C)C)\C(=O)N1

DOS

IR

Vibrations