Geometry & MOs

Info

ID:	154080
PubChem CID:	56313467
Reduced:	S2O3N5C24H29 (1)
Stoich.:	A2B3C5D24E29 (1)
Weight, g/mol:	400.133554
ΔH_f, kcal/mol:	-45.29
Dipole, Da:	7.44
IP(EA), eV:	-8.55(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(2-imidazol-1-ylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCC(C3)C4=NN=C5N4CCCCC5

DOS

IR

Vibrations