Geometry & MOs

Info

ID:	323860
PubChem CID:	126676364
Reduced:	ON10C23H24 (1)
Stoich.:	AB10C23D24 (1)
Weight, g/mol:	506.061351
ΔH_f, kcal/mol:	128.4
Dipole, Da:	3.43
IP(EA), eV:	-8.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-N-(2,6-difluorophenyl)sulfanyl-2-fluoroaniline

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=C4NNN5)N)C(=O)C6=NC=CN6

DOS

IR

Vibrations