Geometry & MOs

Info

ID:	56808
PubChem CID:	22390493
Reduced:	FON7C26H28 (1)
Stoich.:	ABC7D26E28 (1)
Weight, g/mol:	530.267525
ΔH_f, kcal/mol:	52.35
Dipole, Da:	3.06
IP(EA), eV:	-8.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-(cyclohexylamino)-2-[4-(oxolan-2-ylmethylsulfamoyl)anilino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN)COCC1=C2C(=NC=NN2C=C1)NC3=CC4=C(C=C3)N(N=C4)CC5=CC(=CC=C5)F

DOS

IR

Vibrations