Geometry & MOs

Info

ID:	157285
PubChem CID:	56422502
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	7.74
Dipole, Da:	8.85
IP(EA), eV:	-8.61(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-ethoxycarbonyl-5-phenylthiophen-3-yl)amino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=C(C#N)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4)C

DOS

IR

Vibrations