Geometry & MOs

Info

ID:	229682
PubChem CID:	87568430
Reduced:	FN3O4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	467.222035
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	6.01
IP(EA), eV:	-9.01(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[3-(cyclopropylamino)-2-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N'-hydroxyoctanediamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=CC=C(C=C2)N(C(=O)CCCCCCC(=O)N)O)/C3=CC=C(C=C3)F

DOS

IR

Vibrations