Geometry & MOs

Info

ID:	230281
PubChem CID:	87570575
Reduced:	ClSN2O5H15C16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	468.250333
ΔH_f, kcal/mol:	-118.47
Dipole, Da:	6.32
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-[(3-chlorophenyl)methyl-(methoxycarbamoyl)amino]piperidin-1-yl]butyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N(C1C2=C(C=CC(=C2Cl)OC)S(=O)(=O)N1C3=CC=CC=C3)O

DOS

IR

Vibrations