Geometry & MOs

Info

ID:	434161
PubChem CID:	135174324
Reduced:	FP2S3O8N9C21H28 (1)
Stoich.:	AB2C3D8E9F21G28 (1)
Weight, g/mol:	213.07661
ΔH_f, kcal/mol:	-418.82
Dipole, Da:	18.3
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-2-hydroxyhexyl) dihydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H](N1C=CC2=C(N=CN=C21)N)O[C@H](COP(=O)(O[C@@H]3C[C@H](S[C@H]3N4C=NC5=C4NC(=NC5=O)N)COP(=S)(O)O)S)CF

DOS

IR

Vibrations