Geometry & MOs

Info

ID:	214445
PubChem CID:	85083047
Reduced:	SiN4O6C26H42 (1)
Stoich.:	AB4C6D26E42 (1)
Weight, g/mol:	534.280381
ΔH_f, kcal/mol:	-275.92
Dipole, Da:	6.2
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(benzenesulfonyl)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enyl]-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(CC(O1)C2=NN(C3=C2N=CN=C3OC4CCCCO4)C5CCCCO5)O

DOS

IR

Vibrations