Geometry & MOs

Info

ID:	226655
PubChem CID:	87550970
Reduced:	BrCP2H3O6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	229.062008
ΔH_f, kcal/mol:	-342.8
Dipole, Da:	4.33
IP(EA), eV:	-10.95(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxymethyl 3-amino-1,4-dihydroxy-3-methylbutane-2-sulfonate

Drug info:

PubChemData

Smile

C(O[P+](=O)O)(O[P+](=O)O)Br

DOS

IR

Vibrations