Geometry & MOs

Info

ID:	45916
PubChem CID:	10519050
Reduced:	ClSN2O3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	7.51
IP(EA), eV:	-9.24(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C2=C3C(=C1SC)CCN(C3=C(C(=O)C2=O)Cl)C=O

DOS

IR

Vibrations