Geometry & MOs

Info

ID:	80633
PubChem CID:	49835630
Reduced:	ClSN2F3O4H22C24 (1)
Stoich.:	ABC2D3E4F22G24 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	-241.52
Dipole, Da:	6.25
IP(EA), eV:	-9.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-carbamoyl-2-adamantyl) 3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)[C@H]2C[C@@H](C[C@@H]2OCC3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations