Geometry & MOs

Info

ID:

219535

PubChem CID:

85149140

Reduced:

SO4N5H25C31 (1)

Stoich.:

AB4C5D25E31 (1)

Weight, g/mol:

566.175428

ΔHf, kcal/mol:

-5.01

Dipole, Da:

7.59

IP(EA), eV:

 -8.41(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-9-yl] benzoate

Drug info:

PubChemData

Smile

CC12C(CC(C(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)OC(=S)N9C=CN=C9)OC

DOS

IR

Vibrations