Geometry & MOs

Info

ID:	136979
PubChem CID:	52134085
Reduced:	SO2N6C16H20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	364.168145
ΔH_f, kcal/mol:	28.66
Dipole, Da:	1.92
IP(EA), eV:	-9.07(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methylpyrazol-3-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC=NN3C

DOS

IR

Vibrations