Geometry & MOs

Info

ID:	181391
PubChem CID:	76740998
Reduced:	ClFON4C24H24 (1)
Stoich.:	ABCD4E24F24 (1)
Weight, g/mol:	512.189355
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	0.95
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-fluoro-2-(2-methoxy-4-propanoylanilino)pyrimidin-4-yl]methyl]-2,3-dihydro-1H-inden-1-yl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CC(CNC1)C(=O)CC2=CC(=C(C=N2)Cl)C3=NC(=CC=C3)NCC4=CC(=CC=C4)F

DOS

IR

Vibrations