Geometry & MOs

Info

ID:	33440
PubChem CID:	7886484
Reduced:	ClOS2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	358.089975
ΔH_f, kcal/mol:	47.25
Dipole, Da:	2.86
IP(EA), eV:	-9.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN=C3SCC(=O)NC4=C(C=CC(=C4)Cl)C#N

DOS

IR

Vibrations