Geometry & MOs

Info

ID:	337221
PubChem CID:	127256786
Reduced:	OC4H4 (3)
Stoich.:	AB4C4 (3)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	3.43
IP(EA), eV:	-9.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-oxocyclohexa-1,3-dien-1-yl)methyl 2-(2H-1,3-benzothiazol-3-yl)acetate

Drug info:

PubChemData

Smile

CC(C)/C=C\1/C(=O)C2=C(O1)C=C(C=C2)O

DOS

IR

Vibrations