Geometry & MOs

Info

ID:	57261
PubChem CID:	22395552
Reduced:	SC12O14H21 (1)
Stoich.:	AB12C14D21 (1)
Weight, g/mol:	1047.9322
ΔH_f, kcal/mol:	-583.29
Dipole, Da:	3.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754284
Charge, e:	0

Chem-info

IUPAC name:

dibismuth;2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;trisulfate

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)OS(=O)(=O)[O-])CO)O)O)O)O

DOS

IR

Vibrations