Geometry & MOs

Info

ID:	226782
PubChem CID:	87558282
Reduced:	SO5C10H10 (1)
Stoich.:	AB5C10D10 (1)
Weight, g/mol:	258.110338
ΔH_f, kcal/mol:	-185.41
Dipole, Da:	8.23
IP(EA), eV:	-9.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-2-(hydroxymethyl)-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C(=O)O)O)C(=O)COCS

DOS

IR

Vibrations