Geometry & MOs

Info

ID:	25244
PubChem CID:	621391
Reduced:	ClO3H9C14 (1)
Stoich.:	AB3C9D14 (1)
Weight, g/mol:	447.132671
ΔH_f, kcal/mol:	-51.75
Dipole, Da:	3.05
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylspiro[2,5-dihydrothiopyran-6,9'-fluorene]-1-ylidene)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2OC3=C(O2)C=C(C=C3)C=O)Cl

DOS

IR

Vibrations