Geometry & MOs

Info

ID:	62018
PubChem CID:	26717052
Reduced:	ON4H20C21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	411.089831
ΔH_f, kcal/mol:	61.92
Dipole, Da:	3.58
IP(EA), eV:	-9.06(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N[C@@H](C)C3=CC4=CC=CC=C4C=C3)N=N1

DOS

IR

Vibrations