Geometry & MOs

Info

ID:	122226
PubChem CID:	50798623
Reduced:	SN3O4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	481.146013
ΔH_f, kcal/mol:	-38.48
Dipole, Da:	6.2
IP(EA), eV:	-8.85(-0.88)
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]-2,2-diphenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations