Geometry & MOs

Info

ID:	204832
PubChem CID:	80015271
Reduced:	NSBr2O3C9H9 (1)
Stoich.:	ABC2D3E9F9 (1)
Weight, g/mol:	283.103085
ΔH_f, kcal/mol:	-16.49
Dipole, Da:	6.3
IP(EA), eV:	-9.32(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(sulfanylmethyl)cyclobutyl]methyl]benzo[cd]indol-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)OCCCS)Br)[N+](=O)[O-]

DOS

IR

Vibrations