Geometry & MOs

Info

ID:	228354
PubChem CID:	87564067
Reduced:	FO2S2N6H13C20 (1)
Stoich.:	AB2C2D6E13F20 (1)
Weight, g/mol:	412.114002
ΔH_f, kcal/mol:	58.56
Dipole, Da:	7.95
IP(EA), eV:	-9.04(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)SC3=NN=C4N3N=C(C=C4)OC5=CC(=CC=C5)F

DOS

IR

Vibrations