Geometry & MOs

Info

ID:	126010
PubChem CID:	50948311
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	36.43
Dipole, Da:	6.52
IP(EA), eV:	-8.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-5-oxo-1-(pyridin-4-ylmethyl)-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCNC2CCN(CC2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations