Geometry & MOs

Info

ID:	157786
PubChem CID:	56437214
Reduced:	O2F3N4H19C20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	434.152495
ΔH_f, kcal/mol:	-146.88
Dipole, Da:	4.99
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations