Geometry & MOs

Info

ID:	157591
PubChem CID:	56435926
Reduced:	FSO2N6H17C19 (1)
Stoich.:	ABC2D6E17F19 (1)
Weight, g/mol:	413.086637
ΔH_f, kcal/mol:	38.34
Dipole, Da:	6.35
IP(EA), eV:	-9.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

DOS

IR

Vibrations