Geometry & MOs

Info

ID:	393941
PubChem CID:	135022023
Reduced:	SiO5C26H34 (1)
Stoich.:	AB5C26D34 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-224.63
Dipole, Da:	2.35
IP(EA), eV:	-8.95(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5R,8aR,9aS)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]2(C=C)O)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C

DOS

IR

Vibrations