Geometry & MOs

Info

ID:	320477
PubChem CID:	126661319
Reduced:	ON3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	423.157501
ΔH_f, kcal/mol:	55.4
Dipole, Da:	6.92
IP(EA), eV:	-9.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[4-[difluoro(phosphanyl)methoxy]phenyl]-5-fluoro-2-methylphenyl]-2-methyl-N-propylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1/C(=C/2\CCCNC2=O)/C)C#N)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations