Geometry & MOs

Info

ID:	435231
PubChem CID:	135185594
Reduced:	FN2O2C11H19 (1)
Stoich.:	AB2C2D11E19 (1)
Weight, g/mol:	386.223929
ΔH_f, kcal/mol:	-161.48
Dipole, Da:	4.79
IP(EA), eV:	-9.19(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4E)-4-tert-butylsulfinylimino-3-(hydroxymethyl)-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2(CCNCC2)[C@@H]([C@@H]1F)NC(=O)O

DOS

IR

Vibrations