Geometry & MOs

Info

ID:	200993
PubChem CID:	79472066
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	2.18
IP(EA), eV:	-9.61(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCC1)C2=NC3=C(S2)C=CN=C3

DOS

IR

Vibrations