Geometry & MOs

Info

ID:	140635
PubChem CID:	52733985
Reduced:	FNCl2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	445.053087
ΔH_f, kcal/mol:	-149.77
Dipole, Da:	2.69
IP(EA), eV:	-9.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-benzyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-ethyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COC(=O)C[C@@H](C1=CC=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations