Geometry & MOs

Info

ID:	429504
PubChem CID:	135169553
Reduced:	ON2C8F8H8 (1)
Stoich.:	AB2C8D8E8 (1)
Weight, g/mol:	481.189609
ΔH_f, kcal/mol:	-421.93
Dipole, Da:	1.92
IP(EA), eV:	-9.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C(=C(F)F)N(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations