Geometry & MOs

Info

ID:	374724
PubChem CID:	131342552
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	23.48
Dipole, Da:	2.33
IP(EA), eV:	-9.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-hydroxypropanenitrile

Drug info:

PubChemData

Smile

CC1=CN2C(=C(N=C2S1)C)C(C)(C#N)O

DOS

IR

Vibrations