Geometry & MOs

Info

ID:	202418
PubChem CID:	79670884
Reduced:	ClSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-171.67
Dipole, Da:	4.64
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,3-dihydroxypropylsulfanylmethyl)-4-hydroxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC(=C1O)CSCC(CO)O)Cl

DOS

IR

Vibrations