Geometry & MOs

Info

ID:	160311
PubChem CID:	57309658
Reduced:	N4O5C15H28 (1)
Stoich.:	A4B5C15D28 (1)
Weight, g/mol:	278.118795
ΔH_f, kcal/mol:	-228.76
Dipole, Da:	4.87
IP(EA), eV:	-9.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)thian-2-yl]hexanal

Drug info:

PubChemData

Smile

CC(C)CCCC(=O)N(C(=O)NCCCCC(=O)N(C)C(=O)N)O

DOS

IR

Vibrations