Geometry & MOs

Info

ID:	249583
PubChem CID:	103090634
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	2.37
IP(EA), eV:	-8.57(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-7-methoxy-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

CSCCCC1CC(C2=CC=CC=C2O1)O

DOS

IR

Vibrations