Geometry & MOs

Info

ID:	236262
PubChem CID:	92712115
Reduced:	S2O3N4C22H38 (1)
Stoich.:	A2B3C4D22E38 (1)
Weight, g/mol:	470.238533
ΔH_f, kcal/mol:	-123.28
Dipole, Da:	6.75
IP(EA), eV:	-8.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-2-(thiophen-2-ylsulfonylamino)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCCN1CCC(CC1)N2CCCCC2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations