Geometry & MOs

Info

ID:	398301
PubChem CID:	135032721
Reduced:	ClOSN2H9C14 (1)
Stoich.:	ABCD2E9F14 (1)
Weight, g/mol:	315.105942
ΔH_f, kcal/mol:	32.12
Dipole, Da:	2.91
IP(EA), eV:	-8.56(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10bS)-10b-(4-fluorophenyl)-11H-isoindolo[2,1-a]indol-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CN=C3C=CC(=CN3C2=O)Cl

DOS

IR

Vibrations