Geometry & MOs

Info

ID:	429461
PubChem CID:	135169510
Reduced:	ClF3O3N8H18C24 (1)
Stoich.:	AB3C3D8E18F24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	6.69
IP(EA), eV:	-9.61(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[[6-[[2-(methylamino)pyridin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1N2C(=C(C=N2)C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F)[C@H]5CC(=O)CO5)C=C

DOS

IR

Vibrations