Geometry & MOs

Info

ID:	137056
PubChem CID:	52145352
Reduced:	SO2N5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	-12.9
Dipole, Da:	5.23
IP(EA), eV:	-8.99(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(1-methylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)C2=NN=C(O2)S[C@@H](C)C(=O)NC

DOS

IR

Vibrations