Geometry & MOs

Info

ID:	197167
PubChem CID:	78931187
Reduced:	SO5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-193.93
Dipole, Da:	7.6
IP(EA), eV:	-8.63(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(2-chloroprop-2-enoxy)-3-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OC2CCS(=O)(=O)C2)OC)O

DOS

IR

Vibrations