Geometry & MOs

Info

ID:	132161
PubChem CID:	51314792
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	316.03402
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	4.64
IP(EA), eV:	-8.66(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=NC(=CS1)C2=CC=CN2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations