Geometry & MOs

Info

ID:	144539
PubChem CID:	53383142
Reduced:	O2F3N3H24C27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	436.189926
ΔH_f, kcal/mol:	-163.01
Dipole, Da:	7.25
IP(EA), eV:	-9.27(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(4-cyanophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=C(C=C1)C(F)(F)F)N2C3=CC=CC=C3N=C(C2=O)C4=CC=CC=C4

DOS

IR

Vibrations