Geometry & MOs

Info

ID:	229165
PubChem CID:	87567086
Reduced:	FN2O3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	436.216221
ΔH_f, kcal/mol:	-92.69
Dipole, Da:	4.47
IP(EA), eV:	-9.49(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCCC(CCC1)NC(=O)/C(=C\C2=CC=C(C=C2)/C=C/C(=O)NO)/C3=CC=C(C=C3)F

DOS

IR

Vibrations