Geometry & MOs

Info

ID:	143095
PubChem CID:	53145449
Reduced:	ClON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	19.0
Dipole, Da:	3.38
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone

Drug info:

PubChemData

Smile

CCN1C=C(C2=C1N=CC=C2)CCN3CCN(CC3)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations