Geometry & MOs

Info

ID:	338844
PubChem CID:	127259855
Reduced:	SO3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	288.082016
ΔH_f, kcal/mol:	-94.28
Dipole, Da:	4.95
IP(EA), eV:	-9.1(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[(2S)-2-hydroxy-3-phenoxypropyl] benzenecarbothioate

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations