Geometry & MOs

Info

ID:	57331
PubChem CID:	22395674
Reduced:	P2C5O11H12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	301.056268
ΔH_f, kcal/mol:	-623.46
Dipole, Da:	5.01
IP(EA), eV:	-10.96(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2,3,4-trihydroxy-6,7-dioxooctyl) dihydrogen phosphate

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)O

DOS

IR

Vibrations