Geometry & MOs

Info

ID:	228478
PubChem CID:	87564746
Reduced:	NNaO2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	651.089875
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750000
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(4R)-2,5-dioxo-3-(quinolin-4-ylmethyl)-1-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-4-yl]methyl]phenyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

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CC#N.CC(=O)O.[Na]

DOS

IR

Vibrations