Geometry & MOs

Info

ID:	234327
PubChem CID:	92298187
Reduced:	BrNSO3H12C17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	210.056195
ΔH_f, kcal/mol:	-3.32
Dipole, Da:	5.5
IP(EA), eV:	-9.06(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-5-methylsulfanyloxane-2,3,4-triol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/C2=N/C(=C/C3=CC(=CS3)Br)/C(=O)O2

DOS

IR

Vibrations