Geometry & MOs

Info

ID:	23339
PubChem CID:	603146
Reduced:	BrSN3O3H10C15 (1)
Stoich.:	ABC3D3E10F15 (1)
Weight, g/mol:	390.96262
ΔH_f, kcal/mol:	31.6
Dipole, Da:	3.74
IP(EA), eV:	-9.42(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations