Geometry & MOs

Info

ID:	153763
PubChem CID:	56313074
Reduced:	S2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	414.149204
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	2.19
IP(EA), eV:	-8.12(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCN(C)C3=CC=CC=C3

DOS

IR

Vibrations