Geometry & MOs

Info

ID:

219955

PubChem CID:

85165083

Reduced:

SO5N8H30C31 (1)

Stoich.:

AB5C8D30E31 (1)

Weight, g/mol:

621.235621

ΔHf, kcal/mol:

55.4

Dipole, Da:

14.28

IP(EA), eV:

 -9.0(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-(2,4,8-trioxo-3-phenacylpyrido[3,4-d]pyrimidin-7-ium-7-yl)acetamide

Drug info:

PubChemData

Smile

C#CCN(CC1C=CC2=NC(=NC(=O)C2=C1)CSC3NC(CC(=O)N3)N)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations