Geometry & MOs

Info

ID:	68782
PubChem CID:	46509079
Reduced:	ClSN3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	443.210801
ΔH_f, kcal/mol:	-118.49
Dipole, Da:	3.19
IP(EA), eV:	-9.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations