Geometry & MOs

Info

ID:

226121

PubChem CID:

87325820

Reduced:

PSN5O11C31H58 (1)

Stoich.:

ABC5D11E31F58 (1)

Weight, g/mol:

638.238666

ΔHf, kcal/mol:

-591.92

Dipole, Da:

12.2

IP(EA), eV:

 -7.94(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)CC.CCOP(=O)(OCC(COC(=O)C)OC(=O)C)ONC(=O)CCCCCNC(=O)CCCCC1[C@@H]2[C@H](CS1)NC(=O)N2

DOS

IR

Vibrations