Geometry & MOs

Info

ID:	143409
PubChem CID:	53204976
Reduced:	ClSO4N5C20H20 (1)
Stoich.:	ABC4D5E20F20 (1)
Weight, g/mol:	492.16787
ΔH_f, kcal/mol:	-52.34
Dipole, Da:	8.82
IP(EA), eV:	-9.13(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-methyl-5-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C(=O)N3CCCCC3)S(=O)(=O)NC4=NC=C(C=C4)Cl

DOS

IR

Vibrations