Geometry & MOs

Info

ID:	80595
PubChem CID:	49835349
Reduced:	N5C10H11 (2)
Stoich.:	A5B10C11 (2)
Weight, g/mol:	494.162391
ΔH_f, kcal/mol:	145.79
Dipole, Da:	6.42
IP(EA), eV:	-8.35(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-tert-butyl-8-(2,4-dioxopyrimidin-1-yl)-5-methoxyquinolin-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)N)C2=C(N=C3N2C=C(C=C3)C4=CCN(CC4)C)NC5=CC=NN5

DOS

IR

Vibrations