Geometry & MOs

Info

ID:	153378
PubChem CID:	56312566
Reduced:	FN2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	411.141676
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	4.25
IP(EA), eV:	-9.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)N(CC3=CC=CO3)CC4=CC=CO4)F

DOS

IR

Vibrations