Geometry & MOs

Info

ID:	121346
PubChem CID:	50764409
Reduced:	ClSN4O5C23H25 (1)
Stoich.:	ABC4D5E23F25 (1)
Weight, g/mol:	504.123419
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	5.19
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations