Geometry & MOs

Info

ID:	410106
PubChem CID:	135082895
Reduced:	O11C12H22 (1)
Stoich.:	A11B12C22 (1)
Weight, g/mol:	269.9714
ΔH_f, kcal/mol:	-498.36
Dipole, Da:	2.26
IP(EA), eV:	-10.69(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-phenyl-1,3-oxathiol-1-ium;bromide

Drug info:

PubChemData

Smile

C([C@@H]1C([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O

DOS

IR

Vibrations