Geometry & MOs

Info

ID:	234459
PubChem CID:	92298474
Reduced:	ClSN3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	326.121297
ΔH_f, kcal/mol:	69.09
Dipole, Da:	7.43
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5S,6S)-2-methyl-6-[(2S,3R,4R,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

C[C@H]1CN2C(=NN=C2S1)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations