Geometry & MOs

Info

ID:	38634
PubChem CID:	8137297
Reduced:	SN3O5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	381.062867
ΔH_f, kcal/mol:	-168.77
Dipole, Da:	4.49
IP(EA), eV:	-9.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C[C@H](COC)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations