Geometry & MOs

Info

ID:

404511

PubChem CID:

135066572

Reduced:

OSiC17H26 (1)

Stoich.:

ABC17D26 (1)

Weight, g/mol:

457.174306

ΔHf, kcal/mol:

-67.64

Dipole, Da:

3.31

IP(EA), eV:

 -8.87(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,6R)-5-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]dec-8-ene-4-carbonyl)-4-trimethylsilyltricyclo[5.2.1.02,6]deca-4,8-dien-3-one

Drug info:

PubChemData

Smile

CC1=C(C2(CC1([C@H]3[C@@H]2C(=O)C(=C3)[Si](C)(C)C)C)C)C

DOS

IR

Vibrations