Geometry & MOs

Info

ID:	346568
PubChem CID:	127271072
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	374.206639
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	3.09
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)NCCC(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations