Geometry & MOs

Info

ID:	142476
PubChem CID:	53042119
Reduced:	SN2O2C12H15 (2)
Stoich.:	AB2C2D12E15 (2)
Weight, g/mol:	518.145776
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	7.18
IP(EA), eV:	-8.73(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(S2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations