Geometry & MOs

Info

ID:	245054
PubChem CID:	99432263
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-20.19
Dipole, Da:	12.09
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)N[C@@H](C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations