Geometry & MOs

Info

ID:	144146
PubChem CID:	53321027
Reduced:	OH14C18 (1)
Stoich.:	AB14C18 (1)
Weight, g/mol:	463.085636
ΔH_f, kcal/mol:	50.09
Dipole, Da:	4.26
IP(EA), eV:	-9.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]phenyl]-6-[(1S)-1-hydroxyprop-2-enyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C#CC3=CC=CC=C3)C(=O)C1

DOS

IR

Vibrations