Geometry & MOs

Info

ID:	356327
PubChem CID:	127291400
Reduced:	FSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	396.151907
ΔH_f, kcal/mol:	-199.87
Dipole, Da:	3.23
IP(EA), eV:	-9.34(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,3-dimethylbutanoyl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations