Geometry & MOs

Info

ID:	122225
PubChem CID:	50798583
Reduced:	SO2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	435.125277
ΔH_f, kcal/mol:	-2.01
Dipole, Da:	4.53
IP(EA), eV:	-8.76(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]-2-(3-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1C(=O)N2C(=N1)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations