Geometry & MOs

Info

ID:	396652
PubChem CID:	135028987
Reduced:	SO2N4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	292.055801
ΔH_f, kcal/mol:	34.12
Dipole, Da:	7.52
IP(EA), eV:	-9.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2E)-2-benzylidene-1-hydroxy-1H-cyclopenta[b][1]benzothiol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/C2=CCCCC2)CC(=C)N=[N+]=[N-]

DOS

IR

Vibrations