Geometry & MOs

Info

ID:	125218
PubChem CID:	50915467
Reduced:	NSO2H19C24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	464.090781
ΔH_f, kcal/mol:	36.72
Dipole, Da:	4.72
IP(EA), eV:	-8.88(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC(=CC=C1)C2=C(C(=O)NC3=CC=CC=C32)C4=CC=CS4)O

DOS

IR

Vibrations