Geometry & MOs

Info

ID:	429615
PubChem CID:	135169664
Reduced:	OF3N9H16C23 (1)
Stoich.:	AB3C9D16E23 (1)
Weight, g/mol:	404.13184
ΔH_f, kcal/mol:	14.73
Dipole, Da:	10.53
IP(EA), eV:	-8.57(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(2-aminopyrimidin-4-yl)methoxy]-7-fluoro-4-methoxy-1,3-benzothiazol-2-yl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)C#N)C(F)(F)F)N

DOS

IR

Vibrations