Geometry & MOs

Info

ID:	134227
PubChem CID:	51665260
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	459.06341
ΔH_f, kcal/mol:	-92.64
Dipole, Da:	3.49
IP(EA), eV:	-9.13(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2-(4-bromophenyl)-1-(3-fluorophenyl)-6-phenyl-6,7-dihydro-5H-indol-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations