Geometry & MOs

Info

ID:	378312
PubChem CID:	134224389
Reduced:	F3O4N6C26H27 (1)
Stoich.:	A3B4C6D26E27 (1)
Weight, g/mol:	478.152016
ΔH_f, kcal/mol:	-217.84
Dipole, Da:	4.89
IP(EA), eV:	-8.22(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[4-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC

DOS

IR

Vibrations