Geometry & MOs

Info

ID:	144227
PubChem CID:	53334307
Reduced:	SO2N4C24H24 (1)
Stoich.:	AB2C4D24E24 (1)
Weight, g/mol:	481.163771
ΔH_f, kcal/mol:	32.92
Dipole, Da:	2.69
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CSC2=NC=CN3C2=CC(=N3)C4=CC=C(C=C4)OCC

DOS

IR

Vibrations