Geometry & MOs

Info

ID:	157279
PubChem CID:	56422496
Reduced:	SN4O6C21H24 (1)
Stoich.:	AB4C6D21E24 (1)
Weight, g/mol:	427.141117
ΔH_f, kcal/mol:	-166.41
Dipole, Da:	9.1
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-chloro-N-(2-cyanoethyl)-3-methylanilino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)OCCOC(=O)CCNC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations