Geometry & MOs

Info

ID:	153858
PubChem CID:	56313187
Reduced:	BrO3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	453.152241
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	2.59
IP(EA), eV:	-9.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NNC(=O)C2=CC(=CN2)Br

DOS

IR

Vibrations