Geometry & MOs

Info

ID:	234767
PubChem CID:	92303458
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-129.27
Dipole, Da:	4.71
IP(EA), eV:	-8.18(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-3-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]pentanamide

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@H](CC(=O)NCCOC)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations