Geometry & MOs

Info

ID:	171563
PubChem CID:	75394553
Reduced:	ClSN4O5C15H17 (1)
Stoich.:	ABC4D5E15F17 (1)
Weight, g/mol:	391.128054
ΔH_f, kcal/mol:	-130.98
Dipole, Da:	6.49
IP(EA), eV:	-9.87(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-N-[(5-oxo-2H-1,2,4-oxadiazol-3-yl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC(=O)ON3)Cl

DOS

IR

Vibrations