Geometry & MOs

Info

ID:	249584
PubChem CID:	103090640
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	1.91
IP(EA), eV:	-8.59(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)[C@H](CC(O2)CCCSC)O

DOS

IR

Vibrations