Geometry & MOs

Info

ID:	307647
PubChem CID:	125307900
Reduced:	SO3N5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	2.17
Dipole, Da:	3.36
IP(EA), eV:	-8.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-2,3-dihydrofuran-2-carbonyl]piperazin-1-yl]-2-(2H-indol-3-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OCC)C3=C4C=CC=CC4=NC3

DOS

IR

Vibrations