Geometry & MOs

Info

ID:	79214
PubChem CID:	49747449
Reduced:	S2N3O4C13H19 (1)
Stoich.:	A2B3C4D13E19 (1)
Weight, g/mol:	504.150112
ΔH_f, kcal/mol:	-143.3
Dipole, Da:	6.31
IP(EA), eV:	-9.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCNC(=O)C(=O)N)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations