Geometry & MOs

Info

ID:	57911
PubChem CID:	24278459
Reduced:	SO2N3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	265.040879
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	6.46
IP(EA), eV:	-9.34(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-4-methyl-3H-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=C(S2)C(=O)O)C)C

DOS

IR

Vibrations