Geometry & MOs

Info

ID:	226592
PubChem CID:	87544290
Reduced:	RuC4O5H6 (1)
Stoich.:	AB4C5D6 (1)
Weight, g/mol:	774.28749
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	4.25
IP(EA), eV:	-9.35(-4.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,5-difluorophenyl)ethylamino]-N-[(2R)-hexan-2-yl]-N-[2-[2-(5-hydroxy-3-oxo-4H-1,4-benzoxazin-8-yl)ethylamino]ethyl]propanamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C(C(C(=O)O)O)C(=O)O.[Ru]

DOS

IR

Vibrations