Geometry & MOs

Info

ID:	136675
PubChem CID:	52083497
Reduced:	FSO2N5H14C18 (1)
Stoich.:	ABC2D5E14F18 (1)
Weight, g/mol:	403.030602
ΔH_f, kcal/mol:	12.66
Dipole, Da:	14.14
IP(EA), eV:	-8.74(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NC2=NN3C(=NN=C3S2)C4=CC=C(C=C4)F

DOS

IR

Vibrations