Geometry & MOs

Info

ID:	236909
PubChem CID:	92715640
Reduced:	FSN4O4C24H25 (1)
Stoich.:	ABC4D4E24F25 (1)
Weight, g/mol:	429.185255
ΔH_f, kcal/mol:	-122.92
Dipole, Da:	4.94
IP(EA), eV:	-9.02(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=N3)C(=O)O)NS(=O)(=O)C4=CC=CC(=C4)F

DOS

IR

Vibrations