Geometry & MOs

Info

ID:	402202
PubChem CID:	135054892
Reduced:	FNS2O3C19H24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	336.193674
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	3.73
IP(EA), eV:	-8.34(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(1S)-1-(1-adamantyl)-2-oxoethyl]propanedioate

Drug info:

PubChemData

Smile

C[C@](C1=CC=CC=C1)(C(F)S(=O)(=O)C2=CC=CC=C2)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations