Geometry & MOs

Info

ID:	235726
PubChem CID:	92710509
Reduced:	SO4N6C24H30 (1)
Stoich.:	AB4C6D24E30 (1)
Weight, g/mol:	448.214427
ΔH_f, kcal/mol:	-107.51
Dipole, Da:	6.32
IP(EA), eV:	-8.89(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(4-ethylpiperazine-1-carbonyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCN(CC4)C5=NC=CC=N5

DOS

IR

Vibrations