Geometry & MOs

Info

ID:	249582
PubChem CID:	103090633
Reduced:	ClSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	238.102751
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	4.17
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCCC1CC(C2=C(O1)C=CC(=C2)Cl)O

DOS

IR

Vibrations