Geometry & MOs

Info

ID:	73747
PubChem CID:	48420297
Reduced:	ClSO2N6H13C14 (1)
Stoich.:	ABC2D6E13F14 (1)
Weight, g/mol:	375.133139
ΔH_f, kcal/mol:	43.3
Dipole, Da:	4.57
IP(EA), eV:	-9.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C=NN=C2SCC(=O)OCCN3C=NC=N3

DOS

IR

Vibrations