Geometry & MOs

Info

ID:	429639
PubChem CID:	135169688
Reduced:	BrOF3N8H16C21 (1)
Stoich.:	ABC3D8E16F21 (1)
Weight, g/mol:	421.138402
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	4.74
IP(EA), eV:	-8.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-aminopyrimidin-4-yl)methoxy]-N-[(1R)-3,3-difluorocyclohexyl]-4-methoxy-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC=N2)C(=C1)N3C(=C(C=N3)C(=O)NC4=CC(=C(N=C4)N(/C=C\N)N)Br)C(F)(F)F

DOS

IR

Vibrations