Geometry & MOs

Info

ID:	357724
PubChem CID:	127294398
Reduced:	S2N4O4C13H20 (1)
Stoich.:	A2B4C4D13E20 (1)
Weight, g/mol:	307.102434
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	2.79
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-thiomorpholin-4-ylsulfonylethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations