Geometry & MOs

Info

ID:	327697
PubChem CID:	126690765
Reduced:	SO3N5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	293.109503
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	5.38
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-N-[(E)-2-(5-chloro-2-methylpyridin-3-yl)but-2-enyl]-2-fluoro-3-N-methylidenebut-2-ene-1,3-diimine

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)C1=C(C(=CN=C1N(C)C)C2=CC(=NC=C2)NC(=O)C)C

DOS

IR

Vibrations