Geometry & MOs

Info

ID:	235725
PubChem CID:	92710508
Reduced:	SO4N6C24H30 (1)
Stoich.:	AB4C6D24E30 (1)
Weight, g/mol:	498.204925
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	10.3
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-piperidin-1-ylsulfonyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-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