Geometry & MOs

Info

ID:	201289
PubChem CID:	79518704
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	3.32
IP(EA), eV:	-8.32(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(6-ethoxy-3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSC2=C(C=CC(=C2)OC)N

DOS

IR

Vibrations