Geometry & MOs

Info

ID:	187319
PubChem CID:	77558237
Reduced:	ClSO2N5C21H26 (1)
Stoich.:	ABC2D5E21F26 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	3.43
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylpyrazolidin-4-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CC1C(CNN1)C2=CN3C(=NC=C3C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C=C2.Cl

DOS

IR

Vibrations