Geometry & MOs

Info

ID:	147951
PubChem CID:	53787612
Reduced:	SF2N4O4C25H28 (1)
Stoich.:	AB2C4D4E25F28 (1)
Weight, g/mol:	436.300886
ΔH_f, kcal/mol:	-145.84
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-7-[(1S,2S,5S)-2-octyl-5-trimethylsilyloxycyclopentyl]-3-oxohepta-4,6-dienoate

Drug info:

PubChemData

Smile

C1CC(CCC1CCC(C(CC2=CC=CS2)NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)N(O)O)(F)F

DOS

IR

Vibrations