Geometry & MOs

Info

ID:	67637
PubChem CID:	46506865
Reduced:	FSO3N4C27H33 (1)
Stoich.:	ABC3D4E27F33 (1)
Weight, g/mol:	431.151492
ΔH_f, kcal/mol:	-156.49
Dipole, Da:	6.9
IP(EA), eV:	-8.8(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=O)C(=O)NCC4CCN(CC4)CC5=CC=CC=C5F

DOS

IR

Vibrations