Geometry & MOs

Info

ID:	137038
PubChem CID:	52142907
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	417.183461
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	1.21
IP(EA), eV:	-8.95(-0.91)
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-pyrrolidin-1-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)CSC2=NN=C(O2)C3CCCCC3)C(=O)OCC

DOS

IR

Vibrations