Geometry & MOs

Info

ID:	39524
PubChem CID:	8141187
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	388.035163
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	4.75
IP(EA), eV:	-8.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)OC

DOS

IR

Vibrations