Geometry & MOs

Info

ID:	384365
PubChem CID:	134976858
Reduced:	O2F6C25H36 (1)
Stoich.:	A2B6C25D36 (1)
Weight, g/mol:	398.258773
ΔH_f, kcal/mol:	-416.94
Dipole, Da:	6.95
IP(EA), eV:	-9.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-oxo-2-(2,3,4-tritert-butyl-4-chloro-1-methylcyclobut-2-en-1-yl)acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=C([C@@]2([C@]1(C(=C2C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations