Geometry & MOs

Info

ID:	143096
PubChem CID:	53145482
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-42.62
Dipole, Da:	3.77
IP(EA), eV:	-8.53(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(2-ethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1-methylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC3=CN(C4=C3C=CC=N4)C

DOS

IR

Vibrations