Geometry & MOs

Info

ID:

391721

PubChem CID:

135008893

Reduced:

SeN2O18C29H39 (1)

Stoich.:

AB2C18D29E39 (1)

Weight, g/mol:

618.06777

ΔHf, kcal/mol:

-740.95

Dipole, Da:

6.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767305

Charge, e:

 0

Chem-info

IUPAC name:

(5S,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethyl-4-(1-iodoethenyl)-2-(4-methylphenyl)imino-3-selena-1-azabicyclo[3.2.0]heptan-7-one

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H](C(C([C@@H](O1)/N=C(/N[C@H]2C(C([C@@H](C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)\[Se])OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations