Geometry & MOs

Info

ID:	169630
PubChem CID:	75128503
Reduced:	ClSN2O6H19C22 (1)
Stoich.:	ABC2D6E19F22 (1)
Weight, g/mol:	490.119858
ΔH_f, kcal/mol:	-177.13
Dipole, Da:	3.05
IP(EA), eV:	-9.16(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(5-phenylfuran-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=O)OC4=CC(=CC=C4)Cl

DOS

IR

Vibrations