Geometry & MOs

Info

ID:	243976
PubChem CID:	99303072
Reduced:	ClSN3O4C20H30 (1)
Stoich.:	ABC3D4E20F30 (1)
Weight, g/mol:	441.148905
ΔH_f, kcal/mol:	-178.59
Dipole, Da:	5.66
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations