Geometry & MOs

Info

ID:	383209
PubChem CID:	134974800
Reduced:	NOS2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	393.085721
ΔH_f, kcal/mol:	82.29
Dipole, Da:	3.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779392
Charge, e:	0

Chem-info

IUPAC name:

(2aR,7bS)-2a,3-bis(benzenesulfinyl)-2,7b-dihydro-1H-cyclobuta[b]indole

Drug info:

PubChemData

Smile

C1CC(=[S+]C2=CC=CC=C2)[C@@H]1C3=CC=CC=C3NS(=O)C4=CC=CC=C4

DOS

IR

Vibrations