Geometry & MOs

Info

ID:	340456
PubChem CID:	127262467
Reduced:	ClO2N3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	210.009913
ΔH_f, kcal/mol:	24.69
Dipole, Da:	2.27
IP(EA), eV:	-9.06(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-hydroxy-6-(5-sulfanylidene-1,3,4-oxadiazolidin-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC2=N/C(=C/3\NNC(=O)O3)/C=C21)Cl

DOS

IR

Vibrations