Geometry & MOs

Info

ID:	234499
PubChem CID:	92298560
Reduced:	NSO7C13H17 (1)
Stoich.:	ABC7D13E17 (1)
Weight, g/mol:	331.072573
ΔH_f, kcal/mol:	-213.19
Dipole, Da:	5.08
IP(EA), eV:	-9.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methylsulfanyl]oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)[N+](=O)[O-]

DOS

IR

Vibrations