Geometry & MOs

Info

ID:	142989
PubChem CID:	53129090
Reduced:	SF2O3N6C22H24 (1)
Stoich.:	AB2C3D6E22F24 (1)
Weight, g/mol:	460.172225
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	12.38
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinoxalin-2-yl]-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1CCN(CC1)C2=NC3=C(S2)C(=O)N(C=N3)CC(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations