Geometry & MOs

Info

ID:	228388
PubChem CID:	87564153
Reduced:	N3O4H17C20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	384.082702
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	8.85
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)NN/C=C/3\C=CC(=O)C(=C3)O

DOS

IR

Vibrations