Geometry & MOs

Info

ID:	25373
PubChem CID:	623902
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	431.101371
ΔH_f, kcal/mol:	-106.95
Dipole, Da:	5.48
IP(EA), eV:	-8.43(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonylspiro[4,6a-dihydro-3aH-cyclopenta[c][1,2]thiazole-3,9'-fluorene]

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations