Geometry & MOs

Info

ID:	154183
PubChem CID:	56313586
Reduced:	O2F3N5C20H22 (1)
Stoich.:	A2B3C5D20E22 (1)
Weight, g/mol:	455.131506
ΔH_f, kcal/mol:	-144.97
Dipole, Da:	1.24
IP(EA), eV:	-9.71(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCCC(C2)C3=NN=C4N3C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations