Geometry & MOs

Info

ID:	411711
PubChem CID:	135084545
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	650.070119
ΔH_f, kcal/mol:	-29.65
Dipole, Da:	12.18
IP(EA), eV:	-6.86(0.75)
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;nickel(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC[N+]23CC4CC([C@@H]2C1)C[N+]5(C4CCCC5)CC(=O)C3

DOS

IR

Vibrations