Geometry & MOs

Info

ID:	157299
PubChem CID:	56422769
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	404.0484
ΔH_f, kcal/mol:	-10.35
Dipole, Da:	1.21
IP(EA), eV:	-8.75(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bromoanilino)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations