Geometry & MOs

Info

ID:	125219
PubChem CID:	50915488
Reduced:	O3N4F5H13C21 (1)
Stoich.:	A3B4C5D13E21 (1)
Weight, g/mol:	403.108068
ΔH_f, kcal/mol:	-284.45
Dipole, Da:	9.67
IP(EA), eV:	-9.29(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations