Geometry & MOs

Info

ID:	49893
PubChem CID:	11534170
Reduced:	FO3N6C28H35 (1)
Stoich.:	AB3C6D28E35 (1)
Weight, g/mol:	559.225326
ΔH_f, kcal/mol:	-107.42
Dipole, Da:	3.08
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC=CC(=N2)C3=CN(C(=O)N3C4=CC=C(C=C4)F)C5CCOCC5)N6CCOCC6

DOS

IR

Vibrations