Geometry & MOs

Info

ID:

226119

PubChem CID:

87325818

Reduced:

PSN5O11C31H58 (1)

Stoich.:

ABC5D11E31F58 (1)

Weight, g/mol:

638.238666

ΔHf, kcal/mol:

-637.61

Dipole, Da:

16.96

IP(EA), eV:

 -9.2(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]ethoxy-hydroxyphosphoryl]oxy-2-acetyloxypropyl] acetate

Drug info:

PubChemData

Smile

CC[NH+](CC)CC.CC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCCNC(=O)CCCCC1[C@@H]2[C@H](CS1)NC(=O)N2)OC(=O)C

DOS

IR

Vibrations