Geometry & MOs

Info

ID:	378195
PubChem CID:	134224271
Reduced:	ClF2O2N7H18C21 (1)
Stoich.:	AB2C2D7E18F21 (1)
Weight, g/mol:	417.154938
ΔH_f, kcal/mol:	-71.38
Dipole, Da:	7.53
IP(EA), eV:	-8.45(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-oxo-2-[2-[[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(C=C3)NC(N4)(F)F

DOS

IR

Vibrations