Geometry & MOs

Info

ID:	60913
PubChem CID:	26703079
Reduced:	ClO3N4H13C19 (1)
Stoich.:	AB3C4D13E19 (1)
Weight, g/mol:	461.06009
ΔH_f, kcal/mol:	33.28
Dipole, Da:	5.25
IP(EA), eV:	-8.94(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloronaphthalen-1-yl)oxy-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2Cl)OCC(=O)OC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations