Geometry & MOs

Info

ID:	297832
PubChem CID:	117633317
Reduced:	O4N5C14H19 (1)
Stoich.:	A4B5C14D19 (1)
Weight, g/mol:	277.025407
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	4.95
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-2-(thiomorpholin-4-ylmethoxy)ethanesulfonic acid

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@@]1(C#N)N2/C(=C\C=C)/C(=NC=N2)N)COC)O)O

DOS

IR

Vibrations