Geometry & MOs

Info

ID:	378158
PubChem CID:	134224232
Reduced:	ClO3N6H19C22 (1)
Stoich.:	AB3C6D19E22 (1)
Weight, g/mol:	438.120716
ΔH_f, kcal/mol:	-17.54
Dipole, Da:	8.48
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC4=C(C=C3)C(=O)NC4

DOS

IR

Vibrations