Geometry & MOs

Info

ID:	121223
PubChem CID:	50759200
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	438.109483
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	4.52
IP(EA), eV:	-9.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-chloro-5-methoxyphenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCNC(=O)CCN1C=NC2=C(C1=O)C(=NO2)C3=CC=CC=C3

DOS

IR

Vibrations