Geometry & MOs

Info

ID:	336145
PubChem CID:	127255152
Reduced:	ClON5H18C20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	343.120192
ΔH_f, kcal/mol:	67.79
Dipole, Da:	8.06
IP(EA), eV:	-8.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=C(C=CC(=C3)N4C=NN=C4)Cl

DOS

IR

Vibrations