Geometry & MOs

Info

ID:	38625
PubChem CID:	8137280
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	379.108068
ΔH_f, kcal/mol:	-51.69
Dipole, Da:	2.1
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations