Geometry & MOs

Info

ID:	318663
PubChem CID:	126652661
Reduced:	NSO6C11H17 (1)
Stoich.:	ABC6D11E17 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-135.6
Dipole, Da:	3.33
IP(EA), eV:	-9.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-4-benzyl-2-hydroxy-4,9-diazatricyclo[4.3.1.03,8]decane-9-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2CC(CC1[C@@H]3[C@H]2O3)OS(=O)(=O)C

DOS

IR

Vibrations