Geometry & MOs

Info

ID:	243972
PubChem CID:	99303058
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	435.192484
ΔH_f, kcal/mol:	-111.03
Dipole, Da:	2.59
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[(2S)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carbonyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)C2=CC3=CC=CC=C3C=C2NS(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations