Geometry & MOs

Info

ID:	374530
PubChem CID:	131330971
Reduced:	BrN2S2F3H4C8 (1)
Stoich.:	AB2C2D3E4F8 (1)
Weight, g/mol:	202.020084
ΔH_f, kcal/mol:	-95.29
Dipole, Da:	4.49
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1,3-benzothiazole-7-carbonyl cyanide

Drug info:

PubChemData

Smile

C1=C(SC=C1Br)C2=NC(=C(S2)N)C(F)(F)F

DOS

IR

Vibrations