Geometry & MOs

Info

ID:	378305
PubChem CID:	134224381
Reduced:	ClO3N6H19C23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	466.115631
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	10.09
IP(EA), eV:	-8.51(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(3-oxo-4H-1,4-benzoxazin-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)NC(=O)C=C4

DOS

IR

Vibrations