Geometry & MOs

Info

ID:	380415
PubChem CID:	134970860
Reduced:	N2Rh2O4C14H17 (1)
Stoich.:	A2B2C4D14E17 (1)
Weight, g/mol:	342.230728
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	20.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.869386
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-tert-butyl-2-[3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylphenyl]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1CN(C([N-]1)O)C(=O)CCC2=CC=CC=C2.[Rh].[Rh]

DOS

IR

Vibrations