Geometry & MOs

Info

ID:	153554
PubChem CID:	56312802
Reduced:	BrSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	5.2
IP(EA), eV:	-9.27(-0.64)
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-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C(CS2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations