Geometry & MOs

Info

ID:	124211
PubChem CID:	50874803
Reduced:	ClSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	359.076219
ΔH_f, kcal/mol:	11.32
Dipole, Da:	2.94
IP(EA), eV:	-8.94(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methylsulfanyl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=O)NCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations