Geometry & MOs

Info

ID:	386693
PubChem CID:	134982555
Reduced:	NSO8C39H53 (1)
Stoich.:	ABC8D39E53 (1)
Weight, g/mol:	249.162777
ΔH_f, kcal/mol:	-337.69
Dipole, Da:	6.58
IP(EA), eV:	-9.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H](N1C(=O)OC(C)(C)C)C(C([C@@H]2[C@H]3CCCC[C@@H]3C[C@H]4[C@@H]2CO[C@@H]4OC)S(=O)(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations