Geometry & MOs

Info

ID:	1554
PubChem CID:	4683
Reduced:	NSO7C12H17 (1)
Stoich.:	ABC7D12E17 (1)
Weight, g/mol:	319.072573
ΔH_f, kcal/mol:	-235.1
Dipole, Da:	1.82
IP(EA), eV:	-9.12(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dihydroxyamino)phenyl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N(O)O)SC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations