Geometry & MOs

Info

ID:	399927
PubChem CID:	135043892
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	244.055801
ΔH_f, kcal/mol:	-78.4
Dipole, Da:	4.29
IP(EA), eV:	-9.47(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-hydroxy-2-propan-2-ylidene-1H-cyclopenta[b][1]benzothiol-3-one

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C2=CC=CC=C21)CC(=O)O

DOS

IR

Vibrations