Geometry & MOs

Info

ID:

168518

PubChem CID:

74982285

Reduced:

SP3N7O19C27H43 (1)

Stoich.:

AB3C7D19E27F43 (1)

Weight, g/mol:

336.148535

ΔHf, kcal/mol:

-985.84

Dipole, Da:

14.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754448

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCCCC(=O)[O-])O

DOS

IR

Vibrations