Geometry & MOs

Info

ID:	142020
PubChem CID:	52969318
Reduced:	ClSN3O5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	379.120192
ΔH_f, kcal/mol:	-136.5
Dipole, Da:	6.6
IP(EA), eV:	-8.52(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,7-dimethoxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C\2=CC3CCCCC3O/C2=N\NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations