Geometry & MOs

Info

ID:	410099
PubChem CID:	135082888
Reduced:	MgCl2N2O2H16C19 (1)
Stoich.:	AB2C2D2E16F19 (1)
Weight, g/mol:	340.097855
ΔH_f, kcal/mol:	-82.69
Dipole, Da:	4.93
IP(EA), eV:	-8.53(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-[(Z)-chloro-[(4S)-4-phenyl-1,3-oxazolidin-2-ylidene]methyl]-4-phenyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

C1[C@@H]([N-]/C(=C(\C2=N[C@H](CO2)C3=CC=CC=C3)/Cl)/O1)C4=CC=CC=C4.[Mg+2].[Cl-]

DOS

IR

Vibrations