Geometry & MOs

Info

ID:	160755
PubChem CID:	57389691
Reduced:	FSiN2O4C26H33 (1)
Stoich.:	ABC2D4E26F33 (1)
Weight, g/mol:	500.183503
ΔH_f, kcal/mol:	-191.22
Dipole, Da:	3.96
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S)-7-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]-4-oxocyclohept-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O/N=C(/CCCC(=O)N1[C@H](COC1=O)C2=CC=CC=C2)\C3=CC=C(C=C3)F

DOS

IR

Vibrations