Geometry & MOs

Info

ID:	378162
PubChem CID:	134224236
Reduced:	ClF2O2N6H19C22 (1)
Stoich.:	AB2C2D6E19F22 (1)
Weight, g/mol:	444.165837
ΔH_f, kcal/mol:	-78.33
Dipole, Da:	2.09
IP(EA), eV:	-8.44(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-[[6-(2-hydroxyethylamino)pyridin-3-yl]amino]pyrimidin-4-yl]amino]phenyl]-2-imidazol-1-ylethane-1,2-dione

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(C=C3)NCC4(F)F

DOS

IR

Vibrations