Geometry & MOs

Info

ID:	127077
PubChem CID:	50989963
Reduced:	AsC2Na2H5O6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	380.219889
ΔH_f, kcal/mol:	-352.74
Dipole, Da:	1.12
IP(EA), eV:	-9.22(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-[(2R,5S,6S,9S,11S,12R,14S,16R)-11,12,18-trihydroxy-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadecan-2-yl]ethanone

Drug info:

PubChemData

Smile

C(C(=O)[O-])[As](=O)(O)[O-].O.[Na].[Na]

DOS

IR

Vibrations