Geometry & MOs

Info

ID:

308525

PubChem CID:

125333391

Reduced:

N5O6C28H33 (1)

Stoich.:

A5B6C28D33 (1)

Weight, g/mol:

792.332173

ΔHf, kcal/mol:

-132.84

Dipole, Da:

5.66

IP(EA), eV:

 -8.57(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3-[2-[2-[3-[5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-2-diphenylphosphanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CN(N=C1)C)NC2=CC=C3C(=CC2=O)[C@@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations