Geometry & MOs

Info

ID:	355025
PubChem CID:	127287886
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-155.52
Dipole, Da:	8.06
IP(EA), eV:	-9.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)[C@H]3CCC(=O)N3

DOS

IR

Vibrations