Geometry & MOs

Info

ID:	309227
PubChem CID:	126540764
Reduced:	SO2N6C20H38 (1)
Stoich.:	AB2C6D20E38 (1)
Weight, g/mol:	459.125277
ΔH_f, kcal/mol:	-99.55
Dipole, Da:	5.33
IP(EA), eV:	-8.84(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[2-(4-cyanophenyl)ethyl]-2,4-dioxoquinolin-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CSC1(CCC1)C)C(=O)N(CCCCC(=N)N)CCCCC(=N)N

DOS

IR

Vibrations