Geometry & MOs

Info

ID:	157654
PubChem CID:	56436317
Reduced:	SO4N5C18H23 (1)
Stoich.:	AB4C5D18E23 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	-73.58
Dipole, Da:	8.02
IP(EA), eV:	-9.85(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)[C@H](C(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations