Geometry & MOs

Info

ID:	147999
PubChem CID:	53787661
Reduced:	N2O5H26C28 (1)
Stoich.:	A2B5C26D28 (1)
Weight, g/mol:	294.96254
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	7.19
IP(EA), eV:	-9.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3H-1,3-benzothiazol-2-ylidene)-2,4-dichlorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=CC=CC(=C1)CC(C2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC

DOS

IR

Vibrations