Geometry & MOs

Info

ID:	125220
PubChem CID:	50915489
Reduced:	FO3N5H14C21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	408.123383
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	8.86
IP(EA), eV:	-9.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[(2-oxo-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-5-yl)oxy]phenyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

C1C2=C(C=CN=C2NC(=O)N1)OC3=C(C=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N)F

DOS

IR

Vibrations