Geometry & MOs

Info

ID:	62816
PubChem CID:	26737007
Reduced:	ClN2O6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	435.10665
ΔH_f, kcal/mol:	-208.85
Dipole, Da:	4.51
IP(EA), eV:	-9.05(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC=C3Cl)C(=O)OC

DOS

IR

Vibrations