Geometry & MOs

Info

ID:	154529
PubChem CID:	56313986
Reduced:	S2N3O4H23C25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	455.16452
ΔH_f, kcal/mol:	-55.59
Dipole, Da:	6.19
IP(EA), eV:	-8.52(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations