Geometry & MOs

Info

ID:	201325
PubChem CID:	79525397
Reduced:	ClSO2N3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	318.03421
ΔH_f, kcal/mol:	-86.82
Dipole, Da:	4.41
IP(EA), eV:	-8.79(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CSC2=C(C=CC(=C2)Cl)N)C(=O)N

DOS

IR

Vibrations