Geometry & MOs

Info

ID:	154821
PubChem CID:	56314358
Reduced:	SN2O2C11H11 (2)
Stoich.:	AB2C2D11E11 (2)
Weight, g/mol:	432.159769
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	4.99
IP(EA), eV:	-8.38(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C

DOS

IR

Vibrations