Geometry & MOs

Info

ID:	378808
PubChem CID:	134224908
Reduced:	N7C15H15 (1)
Stoich.:	A7B15C15 (1)
Weight, g/mol:	477.163076
ΔH_f, kcal/mol:	124.01
Dipole, Da:	7.06
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@](C)(C#N)NC1=NC(=NC=C1)C2=C3C=CNC3=NC=N2

DOS

IR

Vibrations