Geometry & MOs

Info

ID:	176890
PubChem CID:	76108103
Reduced:	FO5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	283.072573
ΔH_f, kcal/mol:	-246.21
Dipole, Da:	3.6
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3,6,7,8,9-pentahydroxy-1-sulfanylnonane-4,5-dione

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)F

DOS

IR

Vibrations