Geometry & MOs

Info

ID:	137048
PubChem CID:	52143790
Reduced:	SO3N5C13H17 (1)
Stoich.:	AB3C5D13E17 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	2.23
IP(EA), eV:	-9.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2=NN=C(O2)SCC(=O)NCC(=O)C)C

DOS

IR

Vibrations