Geometry & MOs

Info

ID:	384171
PubChem CID:	134976475
Reduced:	N2O6C27H46 (1)
Stoich.:	A2B6C27D46 (1)
Weight, g/mol:	502.344695
ΔH_f, kcal/mol:	-282.72
Dipole, Da:	2.34
IP(EA), eV:	-8.9(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,4S)-1,5,6-tritert-butyl-3,3-diphenyl-2-oxabicyclo[2.2.0]hex-5-ene-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@]2(C(=C([C@]2(N1C(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations