Geometry & MOs

Info

ID:	142082
PubChem CID:	52978042
Reduced:	ClOS2N3H10C15 (1)
Stoich.:	ABC2D3E10F15 (1)
Weight, g/mol:	392.024912
ΔH_f, kcal/mol:	74.68
Dipole, Da:	6.48
IP(EA), eV:	-8.99(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(Z)-(6-nitro-7aH-1,3-benzothiazol-2-ylidene)amino]sulfonylphenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC2C(=N/C(=N/C(=S)NC(=O)C3=CC(=CC=C3)Cl)/S2)C=C1

DOS

IR

Vibrations