Geometry & MOs

Info

ID:	157296
PubChem CID:	56422764
Reduced:	N4O5C19H26 (1)
Stoich.:	A4B5C19D26 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	-179.57
Dipole, Da:	12.32
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)C(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations