Geometry & MOs

Info

ID:	230357
PubChem CID:	87570710
Reduced:	SN3O5C30H37 (1)
Stoich.:	AB3C5D30E37 (1)
Weight, g/mol:	512.168261
ΔH_f, kcal/mol:	-92.81
Dipole, Da:	2.16
IP(EA), eV:	-8.47(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[methylsulfonyl(thiophen-3-yl)methyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(C1)C(=S(=O)=O)OCC(=O)NCC2=CC=C(C=C2)CN3CCOCC3.C1=CC=C2C=CC=CC2=C1

DOS

IR

Vibrations