Geometry & MOs

Info

ID:	142484
PubChem CID:	53042278
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-29.62
Dipole, Da:	3.34
IP(EA), eV:	-8.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(S2)C)NC(=O)C3CCCCC3

DOS

IR

Vibrations