Geometry & MOs

Info

ID:	235723
PubChem CID:	92710505
Reduced:	SN3O5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	462.230077
ΔH_f, kcal/mol:	-194.3
Dipole, Da:	8.91
IP(EA), eV:	-9.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-piperidin-1-ylsulfonyl-2-(4-propylpiperazine-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)N4CCOCC4

DOS

IR

Vibrations