Geometry & MOs

Info

ID:	365673
PubChem CID:	127318394
Reduced:	SN3O4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	308.184841
ΔH_f, kcal/mol:	-87.34
Dipole, Da:	5.05
IP(EA), eV:	-9.75(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations