Geometry & MOs

Info

ID:	245058
PubChem CID:	99432271
Reduced:	ClSN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-33.38
Dipole, Da:	5.54
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)OCC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations