Geometry & MOs

Info

ID:	61498
PubChem CID:	26709990
Reduced:	ClSN3O5C23H26 (1)
Stoich.:	ABC3D5E23F26 (1)
Weight, g/mol:	482.107849
ΔH_f, kcal/mol:	-176.9
Dipole, Da:	3.34
IP(EA), eV:	-9.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3N4CCCC4=O)Cl

DOS

IR

Vibrations