Geometry & MOs

Info

ID:	124212
PubChem CID:	50874804
Reduced:	O2S2N3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	29.82
Dipole, Da:	5.6
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)sulfanyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=O)NCC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations