Geometry & MOs

Info

ID:	249585
PubChem CID:	103090644
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	236.087101
ΔH_f, kcal/mol:	-78.54
Dipole, Da:	4.46
IP(EA), eV:	-8.52(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylsulfanylpropyl)-2,3-dihydrochromen-4-one

Drug info:

PubChemData

Smile

CSCCCC1C[C@H](C2=CC=CC=C2O1)O

DOS

IR

Vibrations