Geometry & MOs

Info

ID:	229164
PubChem CID:	87567085
Reduced:	N3O5H29C30 (1)
Stoich.:	A3B5C29D30 (1)
Weight, g/mol:	436.216221
ΔH_f, kcal/mol:	-58.85
Dipole, Da:	7.66
IP(EA), eV:	-9.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)/C(=C/C2=CC=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)C(=O)NO)/C(=O)NC4CC4

DOS

IR

Vibrations