Geometry & MOs

Info

ID:	409957
PubChem CID:	135082744
Reduced:	BNO2C24H24 (1)
Stoich.:	ABC2D24E24 (1)
Weight, g/mol:	598.03123
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	4.21
IP(EA), eV:	-8.5(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;palladium(2+);diperchlorate

Drug info:

PubChemData

Smile

B1(N2CCC[C@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5OC

DOS

IR

Vibrations