Geometry & MOs

Info

ID:	144149
PubChem CID:	53321376
Reduced:	NOC25H49 (1)
Stoich.:	ABC25D49 (1)
Weight, g/mol:	399.090722
ΔH_f, kcal/mol:	-141.77
Dipole, Da:	4.22
IP(EA), eV:	-8.66(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(C)C

DOS

IR

Vibrations