Geometry & MOs

Info

ID:	360686
PubChem CID:	127301331
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	6.12
IP(EA), eV:	-9.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-(3-hydroxy-1-adamantyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@@H](C)C(=O)N2CCC2

DOS

IR

Vibrations