Geometry & MOs

Info

ID:	400121
PubChem CID:	135045687
Reduced:	ClOSN2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	288.193674
ΔH_f, kcal/mol:	28.49
Dipole, Da:	5.24
IP(EA), eV:	-8.54(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S,5R,6Z)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC2=NC=C(C(=O)N2C=C1)SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations