Geometry & MOs

Info

ID:	357247
PubChem CID:	127293780
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	8.35
IP(EA), eV:	-8.51(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCN(C1)C2=CC=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations