Geometry & MOs

Info

ID:	139450
PubChem CID:	52532514
Reduced:	OSN7H12C17 (1)
Stoich.:	ABC7D12E17 (1)
Weight, g/mol:	366.174356
ΔH_f, kcal/mol:	152.55
Dipole, Da:	10.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941956
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=N2)C(=NC3=NNC(=N3)C4=CC=CC=N4)[O-]

DOS

IR

Vibrations