Geometry & MOs

Info

ID:

220662

PubChem CID:

85201798

Reduced:

ISN2O4C23H25 (1)

Stoich.:

ABC2D4E23F25 (1)

Weight, g/mol:

552.11526

ΔHf, kcal/mol:

-105.88

Dipole, Da:

6.47

IP(EA), eV:

 -9.31(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(2-iodoethenyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(SC1N2CC(C(=O)NC2=O)I)COCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations