Geometry & MOs

Info

ID:	244505
PubChem CID:	99355791
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-159.95
Dipole, Da:	5.77
IP(EA), eV:	-9.4(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@@H]1C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations