Geometry & MOs

Info

ID:

390444

PubChem CID:

134999172

Reduced:

CrSi2O5C31H48 (1)

Stoich.:

AB2C5D31E48 (1)

Weight, g/mol:

1654.664172

ΔHf, kcal/mol:

-179.53

Dipole, Da:

2.8

IP(EA), eV:

 -7.84(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-acetamido-5-[3-acetamido-5-[4-[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@]1([C@@H](C(=O)C(=C1C2=CC=CC=C2)[Si](C(C)C)(C(C)C)C(C)C)[Si](C)(C)C)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations