Geometry & MOs

Info

ID:	122230
PubChem CID:	50798648
Reduced:	SN3O4H23C24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-50.53
Dipole, Da:	7.12
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylphenoxy)-N-[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)SCC3=CC(=O)N4C(=N3)C=C(O4)C)C

DOS

IR

Vibrations