Geometry & MOs

Info

ID:

215331

PubChem CID:

85084557

Reduced:

FS2N11O12C29H38 (1)

Stoich.:

AB2C11D12E29F38 (1)

Weight, g/mol:

819.321211

ΔHf, kcal/mol:

-365.9

Dipole, Da:

6.3

IP(EA), eV:

 -9.01(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-[4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-2,6-dioxo-1,3-diazinan-1-yl]methyl]-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NOCF)C3=NSC(=N3)N)C=NN(C)C(=N)N4CCNCC4)OC(=O)OCC(COC(=O)C)OC(=O)C

DOS

IR

Vibrations