Geometry & MOs

Info

ID:	378811
PubChem CID:	134224912
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	477.163076
ΔH_f, kcal/mol:	47.9
Dipole, Da:	4.91
IP(EA), eV:	-8.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-5-fluoro-4-[(E)-N-[1-(oxan-4-ylamino)ethenyl]-C-[(Z)-prop-1-enyl]carbonimidoyl]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(CC=O)N1C=C(C=N1)/C(=C/2\C=CN=C2NC)/N

DOS

IR

Vibrations