Geometry & MOs

Info

ID:	31322
PubChem CID:	855573
Reduced:	FSO2N4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	3.86
IP(EA), eV:	-9.5(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)CSC2=NN=NN2C3=CC(=CC=C3)F

DOS

IR

Vibrations