Geometry & MOs

Info

ID:

45115

PubChem CID:

10508146

Reduced:

SO5N8H26C31 (1)

Stoich.:

AB5C8D26E31 (1)

Weight, g/mol:

622.243446

ΔHf, kcal/mol:

59.03

Dipole, Da:

5.48

IP(EA), eV:

 -8.86(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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-phenacyl-1H-pyrido[3,4-d]pyrimidin-7-yl)acetamide

Drug info:

PubChemData

Smile

C#CCN(CC1=CC2=C(C=C1)NC(=NC2=O)CSC3=NC(=O)C=C(N3)N)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations