Geometry & MOs

Info

ID:	136975
PubChem CID:	52133235
Reduced:	SO2N6C16H22 (1)
Stoich.:	AB2C6D16E22 (1)
Weight, g/mol:	376.168145
ΔH_f, kcal/mol:	-14.43
Dipole, Da:	8.4
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-piperidin-1-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C=NN=C1SCC2=NC(=NC=C2C(=O)OCC)N3CCCC3

DOS

IR

Vibrations