Geometry & MOs

Info

ID:	36340
PubChem CID:	8001888
Reduced:	N2O2F3H15C22 (1)
Stoich.:	A2B2C3D15E22 (1)
Weight, g/mol:	386.083348
ΔH_f, kcal/mol:	-153.73
Dipole, Da:	6.24
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C(=O)CN4C=C(C=CC4=O)C(F)(F)F

DOS

IR

Vibrations