Geometry & MOs

Info

ID:	153870
PubChem CID:	56313202
Reduced:	O2S2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	427.100205
ΔH_f, kcal/mol:	-3.39
Dipole, Da:	2.05
IP(EA), eV:	-8.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCCC2=CC=C(S2)C3=CSC(=N3)C

DOS

IR

Vibrations