Geometry & MOs

Info

ID:

429484

PubChem CID:

135169533

Reduced:

OF3N9H20C25 (1)

Stoich.:

AB3C9D20E25 (1)

Weight, g/mol:

515.150637

ΔHf, kcal/mol:

18.5

Dipole, Da:

4.81

IP(EA), eV:

 -9.46(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S)-2-[[7-chloro-4-methoxy-6-[[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]methoxy]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2N=CC=N2)NC(=O)C3=C(N(N=C3)C4=CC=CC5=C4C=CN=C5C6CCN6)C(F)(F)F

DOS

IR

Vibrations