Geometry & MOs

Info

ID:	302895
PubChem CID:	124398438
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	9.53
IP(EA), eV:	-8.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=O)N(C(=O)S3)CC(=O)N4CCCCC4)C

DOS

IR

Vibrations