Geometry & MOs

Info

ID:	159851
PubChem CID:	57288818
Reduced:	NSC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	498.244247
ΔH_f, kcal/mol:	45.54
Dipole, Da:	1.39
IP(EA), eV:	-8.69(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S,5R)-8-fluoro-1-(4-fluorophenyl)-3-hydroxy-8-methyl-5-(methylcarbamoyl)nonan-2-yl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2C3=C(C=CS3)C(CN2C1)C4=CC=CC=C4

DOS

IR

Vibrations