Geometry & MOs

Info

ID:	122227
PubChem CID:	50798624
Reduced:	SN3O3H23C28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	419.130363
ΔH_f, kcal/mol:	28.88
Dipole, Da:	1.45
IP(EA), eV:	-8.8(-0.85)
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]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)CSC3=CC=C(C=C3)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations