Geometry & MOs

Info

ID:	136976
PubChem CID:	52133236
Reduced:	SO2N6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	334.157581
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	6.03
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(2,5-dimethylpyrazol-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1SCC2=NC(=NC=C2C(=O)OCC)N3CCCCC3

DOS

IR

Vibrations