Geometry & MOs

Info

ID:	69368
PubChem CID:	46530868
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	2.65
IP(EA), eV:	-8.37(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2SCC3=NOC(=N3)C

DOS

IR

Vibrations