Geometry & MOs

Info

ID:	284810
PubChem CID:	104072300
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	-47.94
Dipole, Da:	6.89
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-hydroxy-2-methylpropyl)sulfanylmethyl]furan-2-carbaldehyde

Drug info:

PubChemData

Smile

CCN(CC)CCSCC1=CC=C(O1)C=O

DOS

IR

Vibrations