Geometry & MOs

Info

ID:	311328
PubChem CID:	126590504
Reduced:	FSN3O3H20C22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	573.175452
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	7.63
IP(EA), eV:	-8.62(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[2-amino-6-[1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CN1CCC(=CC1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)CC=O)F

DOS

IR

Vibrations