Geometry & MOs

Info

ID:	429768
PubChem CID:	135169820
Reduced:	FISN3H9C16 (1)
Stoich.:	ABCD3E9F16 (1)
Weight, g/mol:	521.076089
ΔH_f, kcal/mol:	77.41
Dipole, Da:	4.72
IP(EA), eV:	-9.18(-2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-1,3-benzothiazol-7-yl)-N-[5-chloro-6-[[(Z)-ethylideneamino]-(methylideneamino)amino]pyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=CC(=CC(=C2N=C1)F)C3=CN(C4=C3C=CC=N4)SI

DOS

IR

Vibrations