Geometry & MOs

Info

ID:	155684
PubChem CID:	56366889
Reduced:	ClSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	445.11637
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	3.07
IP(EA), eV:	-9.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-thiomorpholin-4-ylsulfonylthiophene-2-carbonyl)piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3(CCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations