Geometry & MOs

Info

ID:	228302
PubChem CID:	87563864
Reduced:	O3C20H34 (1)
Stoich.:	A3B20C34 (1)
Weight, g/mol:	329.050398
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	5.26
IP(EA), eV:	-10.02(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-4-(4-thiophen-3-yltriazol-1-yl)oxane-3,5-diol

Drug info:

PubChemData

Smile

CCCCC#CCCCCCCCC[C@@H](C1[C@H](O1)CC)C(=O)O

DOS

IR

Vibrations