Geometry & MOs

Info

ID:	122969
PubChem CID:	50828955
Reduced:	ClS2N4O4C21H23 (1)
Stoich.:	AB2C4D4E21F23 (1)
Weight, g/mol:	462.103162
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	2.7
IP(EA), eV:	-9.48(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CSC(=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations