Geometry & MOs

Info

ID:	269025
PubChem CID:	103605859
Reduced:	ON3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	310.060984
ΔH_f, kcal/mol:	84.68
Dipole, Da:	2.58
IP(EA), eV:	-9.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)NCC3=CC=NO3

DOS

IR

Vibrations