Geometry & MOs

Info

ID:

222796

PubChem CID:

85332527

Reduced:

O3C16H26 (2)

Stoich.:

A3B16C26 (2)

Weight, g/mol:

533.164448

ΔHf, kcal/mol:

-344.53

Dipole, Da:

4.58

IP(EA), eV:

 -9.88(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

carbon monoxide;ethyl 3-[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-3-yl]prop-2-enoate;iron(3+)

Drug info:

PubChemData

Smile

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C45CC5(CCCC(C)C)C(=O)O)OC(=O)C)C)O)C

DOS

IR

Vibrations