Geometry & MOs

Info

ID:	337388
PubChem CID:	127257073
Reduced:	NO2S2C6H9 (1)
Stoich.:	AB2C2D6E9 (1)
Weight, g/mol:	255.038771
ΔH_f, kcal/mol:	-50.28
Dipole, Da:	3.33
IP(EA), eV:	-9.15(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-sulfanylidenecyclohexa-1,3-dien-1-yl)methyl 1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CSCN1C(=O)OCC=S

DOS

IR

Vibrations