Geometry & MOs

Info

ID:	154088
PubChem CID:	56313475
Reduced:	F3O3N5C23H26 (1)
Stoich.:	A3B3C5D23E26 (1)
Weight, g/mol:	455.131506
ΔH_f, kcal/mol:	-156.37
Dipole, Da:	2.03
IP(EA), eV:	-9.38(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)N2CCN(CC2)C(C)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations