Geometry & MOs

Info

ID:	235727
PubChem CID:	92710510
Reduced:	SN4O4C22H32 (1)
Stoich.:	AB4C4D22E32 (1)
Weight, g/mol:	448.214427
ΔH_f, kcal/mol:	-158.89
Dipole, Da:	9.21
IP(EA), eV:	-9.12(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)[C@@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations