Geometry & MOs

Info

ID:	137037
PubChem CID:	52142629
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	8.06
IP(EA), eV:	-9.54(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-(ethylamino)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NC(=O)C=C(N1)CSC2=NN=C(O2)C(C)(C)C

DOS

IR

Vibrations