Geometry & MOs

Info

ID:

32299

PubChem CID:

6436407

Reduced:

N11O12C61H109 (1)

Stoich.:

A11B12C61D109 (1)

Weight, g/mol:

912.105968

ΔHf, kcal/mol:

-654.72

Dipole, Da:

3.47

IP(EA), eV:

 -9.36(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CCC1C(=O)N(CC(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C

DOS

IR

Vibrations