Geometry & MOs

Info

ID:	29294
PubChem CID:	832851
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	341.018036
ΔH_f, kcal/mol:	-2.75
Dipole, Da:	3.2
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzoyl-2-sulfanylidene-1,3-thiazol-4-yl) benzoate

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1CCCCC1)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations