Geometry & MOs

Info

ID:	373143
PubChem CID:	131310677
Reduced:	BrSN3H4C7 (1)
Stoich.:	ABC3D4E7 (1)
Weight, g/mol:	240.93093
ΔH_f, kcal/mol:	83.34
Dipole, Da:	3.99
IP(EA), eV:	-9.19(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-methylimidazo[5,1-b][1,3]thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=C(N12)Br)C#N

DOS

IR

Vibrations