Geometry & MOs

Info

ID:	136973
PubChem CID:	52133092
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	322.157581
ΔH_f, kcal/mol:	83.9
Dipole, Da:	6.5
IP(EA), eV:	-8.32(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(1,5-dimethylpyrazol-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C2=NN=C(N2C(C)C)SCC=C

DOS

IR

Vibrations