Geometry & MOs

Info

ID:	80618
PubChem CID:	49835543
Reduced:	ClF2O2N3C23H26 (1)
Stoich.:	AB2C2D3E23F26 (1)
Weight, g/mol:	495.162806
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	2.98
IP(EA), eV:	-8.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-tert-butyl-5-methoxy-8-(2-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-fluorophenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)NCC(O2)CNCC3(CCN(CC3)C(=O)C4=CC(=C(C=C4)F)Cl)F

DOS

IR

Vibrations