Geometry & MOs

Info

ID:	142081
PubChem CID:	52977785
Reduced:	ClSO4N5H12C20 (1)
Stoich.:	ABC4D5E12F20 (1)
Weight, g/mol:	346.995382
ΔH_f, kcal/mol:	93.69
Dipole, Da:	9.32
IP(EA), eV:	-9.63(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-7aH-1,3-benzothiazol-2-ylidenecarbamothioyl]-3-chlorobenzamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=NC3=CC(=CC=C3)Cl)/C(=N/S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])/N=C2C=C1

DOS

IR

Vibrations