Geometry & MOs

Info

ID:	307792
PubChem CID:	125309239
Reduced:	ClSO2N5C15H16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	398.179442
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	3.54
IP(EA), eV:	-9.23(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-butyl-3-[(2R)-2-(4-fluorophenyl)-2H-indol-3-yl]-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N2C(=NC1=O)NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations