Geometry & MOs

Info

ID:	157295
PubChem CID:	56422763
Reduced:	SO3N5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	390.19032
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	9.85
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C3=NN=C(C=C3)N4CCCC4)C(=O)C)C

DOS

IR

Vibrations