Geometry & MOs

Info

ID:	122235
PubChem CID:	50798704
Reduced:	SN4O5H22C24 (1)
Stoich.:	AB4C5D22E24 (1)
Weight, g/mol:	455.070655
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	4.13
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)SCC3=CC(=O)N4C(=N3)C=C(O4)C

DOS

IR

Vibrations