Geometry & MOs

Info

ID:	138076
PubChem CID:	52308437
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	391.098863
ΔH_f, kcal/mol:	-107.4
Dipole, Da:	3.28
IP(EA), eV:	-9.33(0.36)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,2,4-triazole-3-carboximidate

Drug info:

PubChemData

Smile

CCCCC(=O)NC1CCN(CC1)C(=O)[C@@H](CC)C2=CC=CC=C2

DOS

IR

Vibrations