Geometry & MOs

Info

ID:	79390
PubChem CID:	49748419
Reduced:	FSN3O4H22C24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	472.121669
ΔH_f, kcal/mol:	-144.9
Dipole, Da:	2.99
IP(EA), eV:	-8.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxopyrimidin-1-yl)-N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)NC(=O)CNC(=O)C3=CC=CC=C3)N(C1)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations