Geometry & MOs

Info

ID:	140200
PubChem CID:	52661119
Reduced:	ClSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	482.219906
ΔH_f, kcal/mol:	-67.86
Dipole, Da:	7.16
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetamido-4-methoxyphenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)N(CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N)C3CC3

DOS

IR

Vibrations