Geometry & MOs

Info

ID:	378317
PubChem CID:	134224394
Reduced:	ClO3N7C24H24 (1)
Stoich.:	AB3C7D24E24 (1)
Weight, g/mol:	466.115631
ΔH_f, kcal/mol:	-22.92
Dipole, Da:	8.3
IP(EA), eV:	-8.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(3-oxo-4H-1,4-benzoxazin-7-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=CC=C(C=C3)N4CCC(C4=O)N

DOS

IR

Vibrations