Geometry & MOs

Info

ID:	225067
PubChem CID:	85735934
Reduced:	FSO4H5C10 (1)
Stoich.:	ABC4D5E10 (1)
Weight, g/mol:	520.189926
ΔH_f, kcal/mol:	-164.34
Dipole, Da:	7.77
IP(EA), eV:	-9.73(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-4-[4-[(3-quinoxalin-2-ylphenyl)carbamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2F)C(=O)O)C(=O)O

DOS

IR

Vibrations