Geometry & MOs

Info

ID:	17424
PubChem CID:	497695
Reduced:	ClFO2S2N4H8C14 (1)
Stoich.:	ABC2D2E4F8G14 (1)
Weight, g/mol:	381.976124
ΔH_f, kcal/mol:	-8.18
Dipole, Da:	6.49
IP(EA), eV:	-9.24(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole-1-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N3C(=NN=C3S(=O)(=O)NC4=CC(=C(C=C4)F)Cl)S2

DOS

IR

Vibrations