Geometry & MOs

Info

ID:	138293
PubChem CID:	52341564
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	401.144299
ΔH_f, kcal/mol:	8.13
Dipole, Da:	12.14
IP(EA), eV:	-7.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-oxo-1-[(3R)-3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[NH+](C1)CC(=NC2=NC(=C(S2)C)C3=CC=CC=C3)[O-]

DOS

IR

Vibrations