Geometry & MOs

Info

ID:	122510
PubChem CID:	50809824
Reduced:	ClSO2N6H21C22 (1)
Stoich.:	ABC2D6E21F22 (1)
Weight, g/mol:	439.111439
ΔH_f, kcal/mol:	49.3
Dipole, Da:	6.35
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-3-[3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)CCC2=NC(=NO2)CSC3=NNC(=N3)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations