Geometry & MOs

Info

ID:	122229
PubChem CID:	50798647
Reduced:	S2N3O4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-53.11
Dipole, Da:	8.83
IP(EA), eV:	-8.76(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-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)S(=O)(=O)NC2=CC=CC=C2SCC3=CC(=O)N4C(=N3)C=C(O4)C)C

DOS

IR

Vibrations