Geometry & MOs

Info

ID:	238051
PubChem CID:	92729635
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	487.214092
ΔH_f, kcal/mol:	-183.65
Dipole, Da:	8.49
IP(EA), eV:	-9.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2-methoxyethyl)-1-[3-[(4-propan-2-ylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)N3CCC[C@@H](C3)C(=O)NCCOC)C

DOS

IR

Vibrations