Geometry & MOs

Info

ID:	46439
PubChem CID:	10524417
Reduced:	OBr2S2H6C12 (1)
Stoich.:	AB2C2D6E12 (1)
Weight, g/mol:	388.98336
ΔH_f, kcal/mol:	65.95
Dipole, Da:	0.46
IP(EA), eV:	-8.69(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-bromophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=C(OC(=C1)C2=CC=C(S2)Br)C3=CC=C(S3)Br

DOS

IR

Vibrations