Geometry & MOs

Info

ID:	236261
PubChem CID:	92712114
Reduced:	S2O3N4C18H32 (1)
Stoich.:	A2B3C4D18E32 (1)
Weight, g/mol:	470.238533
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	4.71
IP(EA), eV:	-8.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)[C@@H](C(C)C)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations