Geometry & MOs

Info

ID:	346512
PubChem CID:	127271016
Reduced:	SO2N4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	322.146347
ΔH_f, kcal/mol:	-56.16
Dipole, Da:	9.75
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)NC(=O)CSCC(=O)N2CCCCC2

DOS

IR

Vibrations