Geometry & MOs

Info

ID:

231964

PubChem CID:

87575013

Reduced:

O2N3F7C26H26 (1)

Stoich.:

A2B3C7D26E26 (1)

Weight, g/mol:

504.117883

ΔHf, kcal/mol:

-401.99

Dipole, Da:

3.92

IP(EA), eV:

 -9.51(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid;[(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CN[C@@H]1CCN(C1)C(=O)[C@H](CC2=CC=C(C=C2)C(F)(F)F)NC(=O)C3(CC3)C4=C(C=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations