Geometry & MOs

Info

ID:	228624
PubChem CID:	87565438
Reduced:	O5C7H13 (2)
Stoich.:	A5B7C13 (2)
Weight, g/mol:	428.072531
ΔH_f, kcal/mol:	-459.45
Dipole, Da:	7.21
IP(EA), eV:	-10.25(-0.33)
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-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCOC(C(CC(=O)O)C(=O)O)C(=O)O.C(COCCO)O

DOS

IR

Vibrations