Geometry & MOs

Info

ID:	384093
PubChem CID:	134976321
Reduced:	FOC8H13 (3)
Stoich.:	ABC8D13 (3)
Weight, g/mol:	389.292994
ΔH_f, kcal/mol:	-319.26
Dipole, Da:	2.73
IP(EA), eV:	-9.77(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-1,2,6-tritert-butyl-4-cyano-4-methyl-3-oxatricyclo[3.1.0.02,6]hexane-5-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(C2(C3(C2(C3(O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C)C(F)(F)F

DOS

IR

Vibrations