Geometry & MOs

Info

ID:

172959

PubChem CID:

75575867

Reduced:

O4N7C22H25 (1)

Stoich.:

A4B7C22D25 (1)

Weight, g/mol:

698.268038

ΔHf, kcal/mol:

-26.78

Dipole, Da:

7.8

IP(EA), eV:

 -8.11(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethoxy]ethoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC=C(C=C2)C3CN(CCO3)C4=NC(=C5CCNCN5)C(=O)C(=O)N4C

DOS

IR

Vibrations