Geometry & MOs

Info

ID:	121345
PubChem CID:	50764408
Reduced:	SN3O7C26H27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	504.123419
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	11.32
IP(EA), eV:	-8.88(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC(=C(C=C1)OCC2=CC(=O)N3C(=N2)C=C(O3)C)NC(=O)COC4=CC(=C(C=C4)C)C

DOS

IR

Vibrations