Geometry & MOs

Info

ID:	176714
PubChem CID:	76085841
Reduced:	O3C21H26 (1)
Stoich.:	A3B21C26 (1)
Weight, g/mol:	478.117869
ΔH_f, kcal/mol:	-117.02
Dipole, Da:	3.43
IP(EA), eV:	-9.58(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-2-sulfanyl-5-(4-sulfanylbutyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,3,4,4-tetrol

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CC=C=O

DOS

IR

Vibrations