Geometry & MOs

Info

ID:	378269
PubChem CID:	134224345
Reduced:	ClO3N6H21C22 (1)
Stoich.:	AB3C6D21E22 (1)
Weight, g/mol:	450.120716
ΔH_f, kcal/mol:	-24.48
Dipole, Da:	8.87
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)C(=O)N(C)C)Cl

DOS

IR

Vibrations