Geometry & MOs

Info

ID:

58996

PubChem CID:

24770186

Reduced:

SSiN3O8C46H57 (1)

Stoich.:

ABC3D8E46F57 (1)

Weight, g/mol:

319.141973

ΔHf, kcal/mol:

-230.08

Dipole, Da:

3.59

IP(EA), eV:

 -8.99(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4aR,6S,7E,8aR)-7-(dimethylaminomethylidene)-6-methoxy-2-phenyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-8-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](S3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O2)N=[N+]=[N-]

DOS

IR

Vibrations