Geometry & MOs

Info

ID:	84040
PubChem CID:	49863695
Reduced:	ON5C29H33 (1)
Stoich.:	AB5C29D33 (1)
Weight, g/mol:	427.122022
ΔH_f, kcal/mol:	46.59
Dipole, Da:	3.63
IP(EA), eV:	-8.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[4-[(4-butylphenyl)methyl]-5-chloro-1,3-thiazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C2=CC=CC=C2)C(=O)NCCCN3CCN(CC3)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations