Geometry & MOs

Info

ID:	144992
PubChem CID:	53445607
Reduced:	SO3H12C13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	308.147118
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	7.71
IP(EA), eV:	-9.26(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(hydroxymethyl)propane-1,3-diol;2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=CC(=C(C=C2)C(=O)O)OC

DOS

IR

Vibrations