Geometry & MOs

Info

ID:	154323
PubChem CID:	56313739
Reduced:	N2F3O3H21C26 (1)
Stoich.:	A2B3C3D21E26 (1)
Weight, g/mol:	471.12642
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	5.37
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=C(C=CC(=C2)F)F)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations