Geometry & MOs

Info

ID:	237378
PubChem CID:	92718970
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	476.20597
ΔH_f, kcal/mol:	25.71
Dipole, Da:	3.41
IP(EA), eV:	-8.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)CN2C(=S)N3C=CC=CC3=N2

DOS

IR

Vibrations