Geometry & MOs

Info

ID:	378306
PubChem CID:	134224382
Reduced:	ClO4N6H19C22 (1)
Stoich.:	AB4C6D19E22 (1)
Weight, g/mol:	479.11088
ΔH_f, kcal/mol:	-53.62
Dipole, Da:	3.7
IP(EA), eV:	-8.6(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(2,4-dioxo-1H-quinazolin-6-yl)amino]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=C2Cl)NC3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations