Geometry & MOs

Info

ID:	45681
PubChem CID:	10516469
Reduced:	SN2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	274.214409
ΔH_f, kcal/mol:	117.85
Dipole, Da:	5.56
IP(EA), eV:	-9.17(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2S,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]nonan-1-ol

Drug info:

PubChemData

Smile

C1C2C3=NN=CN3C4=CC=CC=C4C(=S)N2CS1

DOS

IR

Vibrations