Geometry & MOs

Info

ID:	121341
PubChem CID:	50764387
Reduced:	ClFSN4O4C23H24 (1)
Stoich.:	ABCD4E4F23G24 (1)
Weight, g/mol:	518.139069
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	9.7
IP(EA), eV:	-9.13(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations